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

C22H19N7O — CID 58182164

IUPAC5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12
InChIInChI=1S/C22H19N7O/c30-22(27-18-14-25-20-16(18)7-4-10-24-20)17-13-26-29-12-9-19(28-21(17)29)23-11-8-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2,(H,23,28)(H,24,25)(H,27,30)
InChIKeyLFIGQSNDWNUIJT-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.51
Rot. Bonds6

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

5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58182164) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58182164
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12
InChIInChI=1S/C22H19N7O/c30-22(27-18-14-25-20-16(18)7-4-10-24-20)17-13-26-29-12-9-19(28-21(17)29)23-11-8-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2,(H,23,28)(H,24,25)(H,27,30)
InChIKeyLFIGQSNDWNUIJT-UHFFFAOYSA-N
XLogP3.51
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58182164) is 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12.
What is the InChIKey of 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LFIGQSNDWNUIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c30-22(27-18-14-25-20-16(18)7-4-10-24-20)17-13-26-29-12-9-19(28-21(17)29)23-11-8-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2,(H,23,28)(H,24,25)(H,27,30).
What are the key properties of 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58182164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).