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

C22H24N8O2 — CID 137449183

IUPACN-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-n2cc(N3CCOCC3)c3ncccc32)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C22H24N8O2/c1-23-18-11-19(27-21-15(12-25-30(18)21)22(31)26-14-4-5-14)29-13-17(28-7-9-32-10-8-28)20-16(29)3-2-6-24-20/h2-3,6,11-14,23H,4-5,7-10H2,1H3,(H,26,31)
InChIKeyVADCXVSWUGFEGE-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.84
Rot. Bonds5

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

N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449183) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449183
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-n2cc(N3CCOCC3)c3ncccc32)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C22H24N8O2/c1-23-18-11-19(27-21-15(12-25-30(18)21)22(31)26-14-4-5-14)29-13-17(28-7-9-32-10-8-28)20-16(29)3-2-6-24-20/h2-3,6,11-14,23H,4-5,7-10H2,1H3,(H,26,31)
InChIKeyVADCXVSWUGFEGE-UHFFFAOYSA-N
XLogP1.84
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449183) is N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-n2cc(N3CCOCC3)c3ncccc32)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VADCXVSWUGFEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-23-18-11-19(27-21-15(12-25-30(18)21)22(31)26-14-4-5-14)29-13-17(28-7-9-32-10-8-28)20-16(29)3-2-6-24-20/h2-3,6,11-14,23H,4-5,7-10H2,1H3,(H,26,31).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).