6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

C21H20F3N7O — CID 166961605

IUPAC6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C(F)F)c1
InChIInChI=1S/C21H20F3N7O/c1-32-18-5-20-26-9-17(30(20)11-13(18)12-6-27-31(10-12)21(23)24)15-3-2-4-19(28-15)29-16-8-25-7-14(16)22/h2-6,9-11,14,16,21,25H,7-8H2,1H3,(H,28,29)/t14-,16-/m0/s1
InChIKeyRKSPQOPBECGSGM-HOCLYGCPSA-N
MW443.43 g/mol
LogP3.39
Rot. Bonds6

About 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961605) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961605
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC Name6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C(F)F)c1
InChIInChI=1S/C21H20F3N7O/c1-32-18-5-20-26-9-17(30(20)11-13(18)12-6-27-31(10-12)21(23)24)15-3-2-4-19(28-15)29-16-8-25-7-14(16)22/h2-6,9-11,14,16,21,25H,7-8H2,1H3,(H,28,29)/t14-,16-/m0/s1
InChIKeyRKSPQOPBECGSGM-HOCLYGCPSA-N
XLogP3.39
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (CID 166961605) is 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C(F)F)c1.
What is the InChIKey of 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is RKSPQOPBECGSGM-HOCLYGCPSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-32-18-5-20-26-9-17(30(20)11-13(18)12-6-27-31(10-12)21(23)24)15-3-2-4-19(28-15)29-16-8-25-7-14(16)22/h2-6,9-11,14,16,21,25H,7-8H2,1H3,(H,28,29)/t14-,16-/m0/s1.
What are the key properties of 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 443.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).