3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H25N9 — CID 24822346

IUPAC3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NC4=NCCCN4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C19H25N9/c1-27-12-14(10-23-27)15-11-24-28-17(26-19-21-6-3-7-22-19)8-16(25-18(15)28)13-4-2-5-20-9-13/h8,10-13,20H,2-7,9H2,1H3,(H2,21,22,26)
InChIKeyWESGVSIITFSYEG-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.36
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24822346) has the molecular formula C19H25N9 and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24822346
Molecular FormulaC19H25N9
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NC4=NCCCN4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C19H25N9/c1-27-12-14(10-23-27)15-11-24-28-17(26-19-21-6-3-7-22-19)8-16(25-18(15)28)13-4-2-5-20-9-13/h8,10-13,20H,2-7,9H2,1H3,(H2,21,22,26)
InChIKeyWESGVSIITFSYEG-UHFFFAOYSA-N
XLogP1.36
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

CID 164925744
CID 164925744
5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160637867
3-bromo-5-piperidin-3-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 143439224
5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 123470664
N-[1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethylidene]hydroxylamine
CID 91016821
N-benzyl-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71011382
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
5-piperidin-3-yl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 53326009
3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821169
2-(1-methylpyrazol-4-yl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 124641432
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
[(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
CID 24821482

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 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) is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(NC4=NCCCN4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WESGVSIITFSYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9/c1-27-12-14(10-23-27)15-11-24-28-17(26-19-21-6-3-7-22-19)8-16(25-18(15)28)13-4-2-5-20-9-13/h8,10-13,20H,2-7,9H2,1H3,(H2,21,22,26).
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 379.47 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24822346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).