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

C23H26FN7O3 — CID 137449920

IUPAC5-[5-fluoro-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)c3ncc(F)cc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C23H26FN7O3/c1-25-20-9-18(16-12-30(6-3-7-32)21-14(16)8-13(24)10-26-21)28-22-15(11-27-31(20)22)23(33)29-17-4-5-19(17)34-2/h8-12,17,19,25,32H,3-7H2,1-2H3,(H,29,33)/t17-,19-/m0/s1
InChIKeyCZCQTVWEORMTPO-HKUYNNGSSA-N
MW467.51 g/mol
LogP2.22
Rot. Bonds8

About 5-[5-fluoro-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-[5-fluoro-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 137449920) has the molecular formula C23H26FN7O3 and a molecular weight of 467.51 g/mol. Its IUPAC name is 5-[5-fluoro-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-[5-fluoro-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 CID137449920
Molecular FormulaC23H26FN7O3
Molecular Weight467.51 g/mol
Exact Mass467.21
IUPAC Name5-[5-fluoro-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)c3ncc(F)cc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C23H26FN7O3/c1-25-20-9-18(16-12-30(6-3-7-32)21-14(16)8-13(24)10-26-21)28-22-15(11-27-31(20)22)23(33)29-17-4-5-19(17)34-2/h8-12,17,19,25,32H,3-7H2,1-2H3,(H,29,33)/t17-,19-/m0/s1
InChIKeyCZCQTVWEORMTPO-HKUYNNGSSA-N
XLogP2.22
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[5-fluoro-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-[5-fluoro-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-[5-fluoro-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 137449920) is 5-[5-fluoro-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-[5-fluoro-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-[5-fluoro-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)c3ncc(F)cc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of 5-[5-fluoro-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 CZCQTVWEORMTPO-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H26FN7O3/c1-25-20-9-18(16-12-30(6-3-7-32)21-14(16)8-13(24)10-26-21)28-22-15(11-27-31(20)22)23(33)29-17-4-5-19(17)34-2/h8-12,17,19,25,32H,3-7H2,1-2H3,(H,29,33)/t17-,19-/m0/s1.
What are the key properties of 5-[5-fluoro-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-[5-fluoro-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 467.51 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-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 137449920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).