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

C23H27N7O3 — CID 137449266

IUPAC5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(CCCO)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C23H27N7O3/c1-24-20-11-18(16-13-29(9-4-10-31)21-14(16)5-3-8-25-21)27-22-15(12-26-30(20)22)23(32)28-17-6-7-19(17)33-2/h3,5,8,11-13,17,19,24,31H,4,6-7,9-10H2,1-2H3,(H,28,32)/t17-,19-/m0/s1
InChIKeyBYHIKJOCISFWOB-HKUYNNGSSA-N
MW449.52 g/mol
LogP2.08
Rot. Bonds8

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

5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449266) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449266
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(CCCO)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C23H27N7O3/c1-24-20-11-18(16-13-29(9-4-10-31)21-14(16)5-3-8-25-21)27-22-15(12-26-30(20)22)23(32)28-17-6-7-19(17)33-2/h3,5,8,11-13,17,19,24,31H,4,6-7,9-10H2,1-2H3,(H,28,32)/t17-,19-/m0/s1
InChIKeyBYHIKJOCISFWOB-HKUYNNGSSA-N
XLogP2.08
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449266) is 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(CCCO)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BYHIKJOCISFWOB-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-24-20-11-18(16-13-29(9-4-10-31)21-14(16)5-3-8-25-21)27-22-15(12-26-30(20)22)23(32)28-17-6-7-19(17)33-2/h3,5,8,11-13,17,19,24,31H,4,6-7,9-10H2,1-2H3,(H,28,32)/t17-,19-/m0/s1.
What are the key properties of 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).