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

C26H32N8O3 — CID 137441514

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC3(CO)CC3)cnn12
InChIInChI=1S/C26H32N8O3/c1-27-22-13-21(31-24-19(14-30-34(22)24)25(36)29-16-26(17-35)4-5-26)20-15-33(23-18(20)3-2-6-28-23)8-7-32-9-11-37-12-10-32/h2-3,6,13-15,27,35H,4-5,7-12,16-17H2,1H3,(H,29,36)
InChIKeyIYXOQHQJYKETSE-UHFFFAOYSA-N
MW504.60 g/mol
LogP1.62
Rot. Bonds9

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

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441514) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441514
Molecular FormulaC26H32N8O3
Molecular Weight504.60 g/mol
Exact Mass504.26
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC3(CO)CC3)cnn12
InChIInChI=1S/C26H32N8O3/c1-27-22-13-21(31-24-19(14-30-34(22)24)25(36)29-16-26(17-35)4-5-26)20-15-33(23-18(20)3-2-6-28-23)8-7-32-9-11-37-12-10-32/h2-3,6,13-15,27,35H,4-5,7-12,16-17H2,1H3,(H,29,36)
InChIKeyIYXOQHQJYKETSE-UHFFFAOYSA-N
XLogP1.62
TPSA121.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.60
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441514) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC3(CO)CC3)cnn12.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IYXOQHQJYKETSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-27-22-13-21(31-24-19(14-30-34(22)24)25(36)29-16-26(17-35)4-5-26)20-15-33(23-18(20)3-2-6-28-23)8-7-32-9-11-37-12-10-32/h2-3,6,13-15,27,35H,4-5,7-12,16-17H2,1H3,(H,29,36).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 504.60 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).