(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

C20H21N7O2S — CID 24768576

IUPAC(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
SMILESCc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(/C=N\O)c4)cnn23)sn1
InChIInChI=1S/C20H21N7O2S/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/h5-7,9-11,13,21,25,28H,2-4,8H2,1H3/b23-9-
InChIKeyIWMSDLVCXQZSEZ-AQHIEDMUSA-N
MW423.50 g/mol
LogP3.77
Rot. Bonds5

About (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

(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 (PubChem CID 24768576) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID24768576
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name(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
SMILESCc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(/C=N\O)c4)cnn23)sn1
InChIInChI=1S/C20H21N7O2S/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/h5-7,9-11,13,21,25,28H,2-4,8H2,1H3/b23-9-
InChIKeyIWMSDLVCXQZSEZ-AQHIEDMUSA-N
XLogP3.77
TPSA112.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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'}

Analyze (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 with MolForge

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Related Compounds

6-(furan-3-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224367
3-(Furan-3-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53319015
N-(furan-2-ylmethyl)-2-[4-[6-methyl-8-[[3-[(3-methylpiperidin-1-yl)methyl]-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
CID 59503615
3-(furan-3-yl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472990
3-(furan-3-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475413
5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11243411
5-(furan-3-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11312354
5-(furan-3-yl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11381622
4-[7-[(3-Methyl-1,2-thiazol-5-yl)amino]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]furan-2-carbonitrile
CID 24822501
N-[3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
CID 24822505
N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine
CID 57758487
Tert-butyl 3-[3-(furan-3-yl)-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57758493

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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 (CID 24768576) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4coc(/C=N\O)c4)cnn23)sn1.
What is the InChIKey of (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?
The InChIKey is IWMSDLVCXQZSEZ-AQHIEDMUSA-N. The full InChI is InChI=1S/C20H21N7O2S/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/h5-7,9-11,13,21,25,28H,2-4,8H2,1H3/b23-9-.
What are the key properties of (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?
(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 has a molecular weight of 423.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 24768576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).