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

C19H20F3N5O — CID 166961613

IUPAC2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1
InChIInChI=1S/C19H20F3N5O/c1-19(2,28)10-3-4-16-24-8-15(27(16)9-10)17-11(20)5-12(21)18(26-17)25-14-7-23-6-13(14)22/h3-5,8-9,13-14,23,28H,6-7H2,1-2H3,(H,25,26)/t13-,14-/m0/s1
InChIKeyIWAWFGKTGNXQLY-KBPBESRZSA-N
MW391.40 g/mol
LogP2.62
Rot. Bonds4

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

2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 166961613) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID166961613
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1
InChIInChI=1S/C19H20F3N5O/c1-19(2,28)10-3-4-16-24-8-15(27(16)9-10)17-11(20)5-12(21)18(26-17)25-14-7-23-6-13(14)22/h3-5,8-9,13-14,23,28H,6-7H2,1-2H3,(H,25,26)/t13-,14-/m0/s1
InChIKeyIWAWFGKTGNXQLY-KBPBESRZSA-N
XLogP2.62
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]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-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 166961613) is 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]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-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1.
What is the InChIKey of 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is IWAWFGKTGNXQLY-KBPBESRZSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-19(2,28)10-3-4-16-24-8-15(27(16)9-10)17-11(20)5-12(21)18(26-17)25-14-7-23-6-13(14)22/h3-5,8-9,13-14,23,28H,6-7H2,1-2H3,(H,25,26)/t13-,14-/m0/s1.
What are the key properties of 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 391.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-difluoro-6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 166961613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).