5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H22N8O — CID 71624488

IUPAC5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12
InChIInChI=1S/C20H22N8O/c29-20(26-16-12-24-18-14(16)2-1-6-22-18)15-11-25-28-9-5-17(27-19(15)28)23-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,22,24)(H,23,27)(H,26,29)
InChIKeyNQILECKDJCJFOD-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.27
Rot. Bonds5

About 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71624488) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71624488
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12
InChIInChI=1S/C20H22N8O/c29-20(26-16-12-24-18-14(16)2-1-6-22-18)15-11-25-28-9-5-17(27-19(15)28)23-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,22,24)(H,23,27)(H,26,29)
InChIKeyNQILECKDJCJFOD-UHFFFAOYSA-N
XLogP2.27
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71624488) is 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12.
What is the InChIKey of 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NQILECKDJCJFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c29-20(26-16-12-24-18-14(16)2-1-6-22-18)15-11-25-28-9-5-17(27-19(15)28)23-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,22,24)(H,23,27)(H,26,29).
What are the key properties of 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71624488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).