3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide

C21H23F3N6O — CID 170107939

IUPAC3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)NC(=O)c1ccn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2c1
InChIInChI=1S/C21H23F3N6O/c1-11(2)27-21(31)12-4-6-30-17(10-26-18(30)7-12)19-14(23)8-15(24)20(29-19)28-16-9-25-5-3-13(16)22/h4,6-8,10-11,13,16,25H,3,5,9H2,1-2H3,(H,27,31)(H,28,29)/t13-,16-/m0/s1
InChIKeyQZYDVCFWALZKEU-BBRMVZONSA-N
MW432.45 g/mol
LogP2.92
Rot. Bonds5

About 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide

3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 170107939) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID170107939
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC Name3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)NC(=O)c1ccn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2c1
InChIInChI=1S/C21H23F3N6O/c1-11(2)27-21(31)12-4-6-30-17(10-26-18(30)7-12)19-14(23)8-15(24)20(29-19)28-16-9-25-5-3-13(16)22/h4,6-8,10-11,13,16,25H,3,5,9H2,1-2H3,(H,27,31)(H,28,29)/t13-,16-/m0/s1
InChIKeyQZYDVCFWALZKEU-BBRMVZONSA-N
XLogP2.92
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide (CID 170107939) is 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide is CC(C)NC(=O)c1ccn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2c1.
What is the InChIKey of 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is QZYDVCFWALZKEU-BBRMVZONSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-11(2)27-21(31)12-4-6-30-17(10-26-18(30)7-12)19-14(23)8-15(24)20(29-19)28-16-9-25-5-3-13(16)22/h4,6-8,10-11,13,16,25H,3,5,9H2,1-2H3,(H,27,31)(H,28,29)/t13-,16-/m0/s1.
What are the key properties of 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide?
3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-N-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 170107939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).