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

C24H27N7O3 — CID 146560427

IUPACN-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12
InChIInChI=1S/C24H27N7O3/c1-25-21-10-19(17-12-30(14-7-9-34-13-14)22-15(17)4-3-8-26-22)28-23-16(11-27-31(21)23)24(32)29-18-5-6-20(18)33-2/h3-4,8,10-12,14,18,20,25H,5-7,9,13H2,1-2H3,(H,29,32)/t14-,18?,20+/m1/s1
InChIKeyRSCBHNYTKLEGRV-IJQBRSJXSA-N
MW461.53 g/mol
LogP2.66
Rot. Bonds6

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

N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560427) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560427
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC NameN-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12
InChIInChI=1S/C24H27N7O3/c1-25-21-10-19(17-12-30(14-7-9-34-13-14)22-15(17)4-3-8-26-22)28-23-16(11-27-31(21)23)24(32)29-18-5-6-20(18)33-2/h3-4,8,10-12,14,18,20,25H,5-7,9,13H2,1-2H3,(H,29,32)/t14-,18?,20+/m1/s1
InChIKeyRSCBHNYTKLEGRV-IJQBRSJXSA-N
XLogP2.66
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]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-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560427) is N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@@H]3CCOC3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.
What is the InChIKey of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RSCBHNYTKLEGRV-IJQBRSJXSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-25-21-10-19(17-12-30(14-7-9-34-13-14)22-15(17)4-3-8-26-22)28-23-16(11-27-31(21)23)24(32)29-18-5-6-20(18)33-2/h3-4,8,10-12,14,18,20,25H,5-7,9,13H2,1-2H3,(H,29,32)/t14-,18?,20+/m1/s1.
What are the key properties of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).