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

C22H22F3N7O — CID 166961576

IUPAC6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C(F)F)c1
InChIInChI=1S/C22H22F3N7O/c1-33-19-7-21-27-10-18(31(21)12-14(19)13-8-28-32(11-13)22(24)25)17-3-2-4-20(30-17)29-16-5-6-26-9-15(16)23/h2-4,7-8,10-12,15-16,22,26H,5-6,9H2,1H3,(H,29,30)/t15-,16-/m0/s1
InChIKeyJBRKJTJIWSFNHM-HOTGVXAUSA-N
MW457.46 g/mol
LogP3.78
Rot. Bonds6

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

6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine (PubChem CID 166961576) has the molecular formula C22H22F3N7O and a molecular weight of 457.46 g/mol. Its IUPAC name is 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-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)-3-fluoropiperidin-4-yl]pyridin-2-amine
PubChem CID166961576
Molecular FormulaC22H22F3N7O
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C(F)F)c1
InChIInChI=1S/C22H22F3N7O/c1-33-19-7-21-27-10-18(31(21)12-14(19)13-8-28-32(11-13)22(24)25)17-3-2-4-20(30-17)29-16-5-6-26-9-15(16)23/h2-4,7-8,10-12,15-16,22,26H,5-6,9H2,1H3,(H,29,30)/t15-,16-/m0/s1
InChIKeyJBRKJTJIWSFNHM-HOTGVXAUSA-N
XLogP3.78
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.78
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-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine
CID 164537281
1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166961707
6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 169129558
6-[7-methoxy-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 134300799
N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(6-methylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 170240945
1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166961617
6-[6-(2,3-dihydropyridin-5-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 155441890
6-[6-cyclopropyl-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 166961558
1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
CID 169129615
2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961740
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 166961718
6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
CID 166961592

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)-3-fluoropiperidin-4-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)-3-fluoropiperidin-4-yl]pyridin-2-amine (CID 166961576) is 6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-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)-3-fluoropiperidin-4-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)-3-fluoropiperidin-4-yl]pyridin-2-amine is COc1cc2ncc(-c3cccc(N[C@H]4CCNC[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)-3-fluoropiperidin-4-yl]pyridin-2-amine?
The InChIKey is JBRKJTJIWSFNHM-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H22F3N7O/c1-33-19-7-21-27-10-18(31(21)12-14(19)13-8-28-32(11-13)22(24)25)17-3-2-4-20(30-17)29-16-5-6-26-9-15(16)23/h2-4,7-8,10-12,15-16,22,26H,5-6,9H2,1H3,(H,29,30)/t15-,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)-3-fluoropiperidin-4-yl]pyridin-2-amine?
6-[6-[1-(difluoromethyl)pyrazol-4-yl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-3-fluoropiperidin-4-yl]pyridin-2-amine has a molecular weight of 457.46 g/mol, XLogP of 3.78, 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)-3-fluoropiperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 166961576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).