N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27N9O2 — CID 137449379

IUPACN-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2nn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H27N9O2/c1-24-19-13-18(28-22-17(14-26-32(19)22)23(33)27-15-4-5-15)20-16-3-2-6-25-21(16)31(29-20)8-7-30-9-11-34-12-10-30/h2-3,6,13-15,24H,4-5,7-12H2,1H3,(H,27,33)
InChIKeyFQJQXXXCAQMRDB-UHFFFAOYSA-N
MW461.53 g/mol
LogP1.41
Rot. Bonds7

About N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449379) has the molecular formula C23H27N9O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449379
Molecular FormulaC23H27N9O2
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2nn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H27N9O2/c1-24-19-13-18(28-22-17(14-26-32(19)22)23(33)27-15-4-5-15)20-16-3-2-6-25-21(16)31(29-20)8-7-30-9-11-34-12-10-30/h2-3,6,13-15,24H,4-5,7-12H2,1H3,(H,27,33)
InChIKeyFQJQXXXCAQMRDB-UHFFFAOYSA-N
XLogP1.41
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449379) is N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2nn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FQJQXXXCAQMRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O2/c1-24-19-13-18(28-22-17(14-26-32(19)22)23(33)27-15-4-5-15)20-16-3-2-6-25-21(16)31(29-20)8-7-30-9-11-34-12-10-30/h2-3,6,13-15,24H,4-5,7-12H2,1H3,(H,27,33).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).