2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol

C21H24F3N5O2 — CID 169074505

IUPAC2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2cc1CO
InChIInChI=1S/C21H24F3N5O2/c1-21(2,31)12-9-29-17(8-26-18(29)5-11(12)10-30)19-14(23)6-15(24)20(28-19)27-16-7-25-4-3-13(16)22/h5-6,8-9,13,16,25,30-31H,3-4,7,10H2,1-2H3,(H,27,28)/t13-,16-/m0/s1
InChIKeySLXRUGRDAKLMGS-BBRMVZONSA-N
MW435.45 g/mol
LogP2.51
Rot. Bonds5

About 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol

2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 169074505) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID169074505
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2cc1CO
InChIInChI=1S/C21H24F3N5O2/c1-21(2,31)12-9-29-17(8-26-18(29)5-11(12)10-30)19-14(23)6-15(24)20(28-19)27-16-7-25-4-3-13(16)22/h5-6,8-9,13,16,25,30-31H,3-4,7,10H2,1-2H3,(H,27,28)/t13-,16-/m0/s1
InChIKeySLXRUGRDAKLMGS-BBRMVZONSA-N
XLogP2.51
TPSA94.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 169074505) is 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(C)(O)c1cn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2cc1CO.
What is the InChIKey of 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is SLXRUGRDAKLMGS-BBRMVZONSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-21(2,31)12-9-29-17(8-26-18(29)5-11(12)10-30)19-14(23)6-15(24)20(28-19)27-16-7-25-4-3-13(16)22/h5-6,8-9,13,16,25,30-31H,3-4,7,10H2,1-2H3,(H,27,28)/t13-,16-/m0/s1.
What are the key properties of 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 435.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 169074505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).