3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C40H44N16 — CID 157183377

IUPAC3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/2C20H22N8/c1-27-13-15(10-23-27)17-12-24-28-19(25-16-5-3-7-22-11-16)8-18(26-20(17)28)14-4-2-6-21-9-14;1-27-13-15(11-23-27)16-12-24-28-19(26-18-6-2-3-8-22-18)9-17(25-20(16)28)14-5-4-7-21-10-14/h3,5,7-8,10-14,21,25H,2,4,6,9H2,1H3;2-3,6,8-9,11-14,21H,4-5,7,10H2,1H3,(H,22,26)
InChIKeyAOVBETAXNDLUQR-UHFFFAOYSA-N
MW748.90 g/mol
LogP5.47
Rot. Bonds8

About 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157183377) has the molecular formula C40H44N16 and a molecular weight of 748.90 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157183377
Molecular FormulaC40H44N16
Molecular Weight748.90 g/mol
Exact Mass748.39
IUPAC Name3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/2C20H22N8/c1-27-13-15(10-23-27)17-12-24-28-19(25-16-5-3-7-22-11-16)8-18(26-20(17)28)14-4-2-6-21-9-14;1-27-13-15(11-23-27)16-12-24-28-19(26-18-6-2-3-8-22-18)9-17(25-20(16)28)14-5-4-7-21-10-14/h3,5,7-8,10-14,21,25H,2,4,6,9H2,1H3;2-3,6,8-9,11-14,21H,4-5,7,10H2,1H3,(H,22,26)
InChIKeyAOVBETAXNDLUQR-UHFFFAOYSA-N
XLogP5.47
TPSA169.92 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.90
LogP ≤ 55.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine 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

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CID 73777037
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CID 89914090
1-[(4-aminocyclohexyl)methyl]-N-(3-phenylpropyl)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 68212505
9-ethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-8-[6-(trifluoromethyl)-3-pyridinyl]purin-6-amine
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US9670208, Example 115
CID 118216704
Tosposertib
CID 136232645
2-methyl-3-phenyl-5-propyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1861043
(5-Isopropyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-pyridin-2-ylmethyl-amine
CID 1966501
N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665425
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157183377) is 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(Nc4ccccn4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cccnc4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AOVBETAXNDLUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H22N8/c1-27-13-15(10-23-27)17-12-24-28-19(25-16-5-3-7-22-11-16)8-18(26-20(17)28)14-4-2-6-21-9-14;1-27-13-15(11-23-27)16-12-24-28-19(26-18-6-2-3-8-22-18)9-17(25-20(16)28)14-5-4-7-21-10-14/h3,5,7-8,10-14,21,25H,2,4,6,9H2,1H3;2-3,6,8-9,11-14,21H,4-5,7,10H2,1H3,(H,22,26).
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 748.90 g/mol, XLogP of 5.47, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157183377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).