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

C23H24FN7O3 — CID 146559208

IUPACN-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@H]3COC[C@@H]3O)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
InChIInChI=1S/C23H24FN7O3/c1-25-20-7-17(28-22-13(8-27-31(20)22)23(33)29-16-5-4-15(16)24)14-9-30(18-10-34-11-19(18)32)21-12(14)3-2-6-26-21/h2-3,6-9,15-16,18-19,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16-,18-,19-/m0/s1
InChIKeyGOJNATBIYAPJPF-CAMMJAKZSA-N
MW465.49 g/mol
LogP1.95
Rot. Bonds5

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

N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559208) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146559208
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC NameN-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@H]3COC[C@@H]3O)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
InChIInChI=1S/C23H24FN7O3/c1-25-20-7-17(28-22-13(8-27-31(20)22)23(33)29-16-5-4-15(16)24)14-9-30(18-10-34-11-19(18)32)21-12(14)3-2-6-26-21/h2-3,6-9,15-16,18-19,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16-,18-,19-/m0/s1
InChIKeyGOJNATBIYAPJPF-CAMMJAKZSA-N
XLogP1.95
TPSA118.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-[1-[(3S,4S)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486185
N-[(1S,2R)-2-fluorocyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560762
5-[1-[(3R,4R)-4-fluorooxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569541
5-[1-[(1S,2R)-2-fluorocyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(4-hydroxyoxolan-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560459
5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560436
5-[1-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559253
N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-5-[1-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-hydroxycyclobutyl]-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167631690
5-[1-[(3R,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167595034
5-[1-[(3S,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2S)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167581505
N-[(4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560456
N-(4-hydroxyoxolan-3-yl)-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560438
N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572553

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559208) is N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@H]3COC[C@@H]3O)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12.
What is the InChIKey of N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GOJNATBIYAPJPF-CAMMJAKZSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-25-20-7-17(28-22-13(8-27-31(20)22)23(33)29-16-5-4-15(16)24)14-9-30(18-10-34-11-19(18)32)21-12(14)3-2-6-26-21/h2-3,6-9,15-16,18-19,25,32H,4-5,10-11H2,1H3,(H,29,33)/t15-,16-,18-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-[(3S,4R)-4-hydroxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).