N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21N9O — CID 66556460

IUPACN-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(-n2nc(C3CCNCC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C20H21N9O/c1-13-10-23-20(24-11-13)29-17(9-16(27-29)14-3-6-21-7-4-14)26-19(30)15-12-25-28-8-2-5-22-18(15)28/h2,5,8-12,14,21H,3-4,6-7H2,1H3,(H,26,30)
InChIKeyQBXUPPGNEKBEQN-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.73
Rot. Bonds4

About N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556460) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66556460
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc(-n2nc(C3CCNCC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C20H21N9O/c1-13-10-23-20(24-11-13)29-17(9-16(27-29)14-3-6-21-7-4-14)26-19(30)15-12-25-28-8-2-5-22-18(15)28/h2,5,8-12,14,21H,3-4,6-7H2,1H3,(H,26,30)
InChIKeyQBXUPPGNEKBEQN-UHFFFAOYSA-N
XLogP1.73
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556460) is N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc(-n2nc(C3CCNCC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QBXUPPGNEKBEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-13-10-23-20(24-11-13)29-17(9-16(27-29)14-3-6-21-7-4-14)26-19(30)15-12-25-28-8-2-5-22-18(15)28/h2,5,8-12,14,21H,3-4,6-7H2,1H3,(H,26,30).
What are the key properties of N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylpyrimidin-2-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).