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

C22H20F5N7O — CID 166961614

IUPAC6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(C(F)F)c1
InChIInChI=1S/C22H20F5N7O/c1-35-18-5-20-29-9-17(33(20)11-13(18)12-6-30-34(10-12)21(23)24)15-3-2-4-19(31-15)32-16-8-28-7-14(16)22(25,26)27/h2-6,9-11,14,16,21,28H,7-8H2,1H3,(H,31,32)/t14-,16-/m0/s1
InChIKeyUZBFFCBUJQNOPY-HOCLYGCPSA-N
MW493.44 g/mol
LogP4.23
Rot. Bonds6

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

6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961614) has the molecular formula C22H20F5N7O and a molecular weight of 493.44 g/mol. Its IUPAC name is 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961614
Molecular FormulaC22H20F5N7O
Molecular Weight493.44 g/mol
Exact Mass493.16
IUPAC Name6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(C(F)F)c1
InChIInChI=1S/C22H20F5N7O/c1-35-18-5-20-29-9-17(33(20)11-13(18)12-6-30-34(10-12)21(23)24)15-3-2-4-19(31-15)32-16-8-28-7-14(16)22(25,26)27/h2-6,9-11,14,16,21,28H,7-8H2,1H3,(H,31,32)/t14-,16-/m0/s1
InChIKeyUZBFFCBUJQNOPY-HOCLYGCPSA-N
XLogP4.23
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine with MolForge

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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-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-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-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (CID 166961614) is 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-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-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-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-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)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-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is UZBFFCBUJQNOPY-HOCLYGCPSA-N. The full InChI is InChI=1S/C22H20F5N7O/c1-35-18-5-20-29-9-17(33(20)11-13(18)12-6-30-34(10-12)21(23)24)15-3-2-4-19(31-15)32-16-8-28-7-14(16)22(25,26)27/h2-6,9-11,14,16,21,28H,7-8H2,1H3,(H,31,32)/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-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 493.44 g/mol, XLogP of 4.23, 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-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).