5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

About 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 153452534) has the molecular formula C23H27N7O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	153452534
Molecular Formula	C23H27N7O4
Molecular Weight	465.51 g/mol
Exact Mass	465.21
IUPAC Name	5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	CCOCCn1cc(-c2cc(NC)n3ncc(C(=O)N[C@H]4COC[C@H]4O)c3n2)c2cccnc21
InChI	InChI=1S/C23H27N7O4/c1-3-33-8-7-29-11-16(14-5-4-6-25-21(14)29)17-9-20(24-2)30-22(27-17)15(10-26-30)23(32)28-18-12-34-13-19(18)31/h4-6,9-11,18-19,24,31H,3,7-8,12-13H2,1-2H3,(H,28,32)/t18-,19+/m0/s1
InChIKey	VIBYLOVFHHNOGV-RBUKOAKNSA-N
XLogP	1.31
TPSA	127.83 Å²
H-Bond Donors	3
H-Bond Acceptors	10
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 153452534) is 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOCCn1cc(-c2cc(NC)n3ncc(C(=O)N[C@H]4COC[C@H]4O)c3n2)c2cccnc21.

What is the InChIKey of 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VIBYLOVFHHNOGV-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H27N7O4/c1-3-33-8-7-29-11-16(14-5-4-6-25-21(14)29)17-9-20(24-2)30-22(27-17)15(10-26-30)23(32)28-18-12-34-13-19(18)31/h4-6,9-11,18-19,24,31H,3,7-8,12-13H2,1-2H3,(H,28,32)/t18-,19+/m0/s1.

What are the key properties of 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 153452534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).