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

C24H26FN7O3 — CID 137450363

IUPAC5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CCOCC3)c3ncc(F)cc23)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C24H26FN7O3/c1-26-21-9-19(29-23-16(11-28-32(21)23)24(34)30-18-2-3-20(18)33)17-12-31(14-4-6-35-7-5-14)22-15(17)8-13(25)10-27-22/h8-12,14,18,20,26,33H,2-7H2,1H3,(H,30,34)/t18-,20-/m0/s1
InChIKeyYCOWDMUEHUZZDC-ICSRJNTNSA-N
MW479.52 g/mol
LogP2.53
Rot. Bonds5

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

5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450363) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450363
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CCOCC3)c3ncc(F)cc23)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C24H26FN7O3/c1-26-21-9-19(29-23-16(11-28-32(21)23)24(34)30-18-2-3-20(18)33)17-12-31(14-4-6-35-7-5-14)22-15(17)8-13(25)10-27-22/h8-12,14,18,20,26,33H,2-7H2,1H3,(H,30,34)/t18-,20-/m0/s1
InChIKeyYCOWDMUEHUZZDC-ICSRJNTNSA-N
XLogP2.53
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-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-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450363) is 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3CCOCC3)c3ncc(F)cc23)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YCOWDMUEHUZZDC-ICSRJNTNSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-26-21-9-19(29-23-16(11-28-32(21)23)24(34)30-18-2-3-20(18)33)17-12-31(14-4-6-35-7-5-14)22-15(17)8-13(25)10-27-22/h8-12,14,18,20,26,33H,2-7H2,1H3,(H,30,34)/t18-,20-/m0/s1.
What are the key properties of 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).