4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine

C60H63N21O4S3 — CID 143656229

IUPAC4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine
SMILESC1CCNCC1.CC1C=C(Nc2cc(C3CCCNC3)nc3c(-c4coc(C#N)c4)cnn23)SN1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(/C=N\O)c4)cnn23)sn1.Cc1cc(Nc2ccnc3c(-c4coc(C#N)c4)cnn23)sn1
InChIInChI=1S/C20H21N7O2S.C20H21N7OS.C15H10N6OS.C5H11N/c1-12-5-19(30-26-12)25-18-7-17(13-3-2-4-21-8-13)24-20-16(10-22-27(18)20)14-6-15(9-23-28)29-11-14;1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14;1-9-4-14(23-20-9)19-13-2-3-17-15-12(7-18-21(13)15)10-5-11(6-16)22-8-10;1-2-4-6-5-3-1/h5-7,9-11,13,21,25,28H,2-4,8H2,1H3;5-7,10-13,22,25-26H,2-4,9H2,1H3;2-5,7-8,19H,1H3;6H,1-5H2/b23-9-;;;
InChIKeyMYYPQTUCKBVIOV-UEJOZGOOSA-N
MW1238.51 g/mol
LogP11.12
Rot. Bonds12

About 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine

4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine (PubChem CID 143656229) has the molecular formula C60H63N21O4S3 and a molecular weight of 1238.51 g/mol. Its IUPAC name is 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine.

Molecular Properties

Compound Name4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine
PubChem CID143656229
Molecular FormulaC60H63N21O4S3
Molecular Weight1238.51 g/mol
Exact Mass1237.45
IUPAC Name4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine
SMILESC1CCNCC1.CC1C=C(Nc2cc(C3CCCNC3)nc3c(-c4coc(C#N)c4)cnn23)SN1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(/C=N\O)c4)cnn23)sn1.Cc1cc(Nc2ccnc3c(-c4coc(C#N)c4)cnn23)sn1
InChIInChI=1S/C20H21N7O2S.C20H21N7OS.C15H10N6OS.C5H11N/c1-12-5-19(30-26-12)25-18-7-17(13-3-2-4-21-8-13)24-20-16(10-22-27(18)20)14-6-15(9-23-28)29-11-14;1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14;1-9-4-14(23-20-9)19-13-2-3-17-15-12(7-18-21(13)15)10-5-11(6-16)22-8-10;1-2-4-6-5-3-1/h5-7,9-11,13,21,25,28H,2-4,8H2,1H3;5-7,10-13,22,25-26H,2-4,9H2,1H3;2-5,7-8,19H,1H3;6H,1-5H2/b23-9-;;;
InChIKeyMYYPQTUCKBVIOV-UEJOZGOOSA-N
XLogP11.12
TPSA320.15 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001238.51
LogP ≤ 511.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;5-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
CID 160515168
ethane;3-[3-(furan-3-yl)-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143656210
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24822346
3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
CID 58364917
3-[5-[(E)-C-methyl-N-[[(1Z)-3-methyl-1-[[3-(5-methylfuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]buta-1,3-dienyl]sulfanylmethyl]carbonimidoyl]furan-3-yl]-N-[(1Z)-3-methyl-1-methylsulfanylbuta-1,3-dienyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143656237
3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 143439224
tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2-thiazol-5-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(3-methyl-1,2-thiazol-5-yl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
CID 157123021
[1-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-yl]methanol
CID 71199039
N-ethyl-5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-methylbut-3-en-2-imine
CID 143803577
tert-butyl 3-[3-methyl-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;ethane
CID 143439987
N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71011382
3-methyl-N-[3-[(Z)-1-methyliminobut-2-en-2-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
CID 160901439

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine?
The IUPAC name of 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine (CID 143656229) is 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine.
What is the SMILES notation for 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine?
The canonical SMILES for 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine is C1CCNCC1.CC1C=C(Nc2cc(C3CCCNC3)nc3c(-c4coc(C#N)c4)cnn23)SN1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(/C=N\O)c4)cnn23)sn1.Cc1cc(Nc2ccnc3c(-c4coc(C#N)c4)cnn23)sn1.
What is the InChIKey of 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine?
The InChIKey is MYYPQTUCKBVIOV-UEJOZGOOSA-N. The full InChI is InChI=1S/C20H21N7O2S.C20H21N7OS.C15H10N6OS.C5H11N/c1-12-5-19(30-26-12)25-18-7-17(13-3-2-4-21-8-13)24-20-16(10-22-27(18)20)14-6-15(9-23-28)29-11-14;1-12-5-19(29-26-12)25-18-7-17(13-3-2-4-22-9-13)24-20-16(10-23-27(18)20)14-6-15(8-21)28-11-14;1-9-4-14(23-20-9)19-13-2-3-17-15-12(7-18-21(13)15)10-5-11(6-16)22-8-10;1-2-4-6-5-3-1/h5-7,9-11,13,21,25,28H,2-4,8H2,1H3;5-7,10-13,22,25-26H,2-4,9H2,1H3;2-5,7-8,19H,1H3;6H,1-5H2/b23-9-;;;.
What are the key properties of 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine?
4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine has a molecular weight of 1238.51 g/mol, XLogP of 11.12, 12 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(3-methyl-2,3-dihydro-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;(NZ)-N-[[4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-yl]methylidene]hydroxylamine;4-[7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile;piperidine is sourced from PubChem (CID 143656229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).