(2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol

C19H18F5N5O — CID 169129503

IUPAC(2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1ccc2ncc(-c3nc(N[C@@H]4CCNC4)c(F)cc3F)n2c1)C(F)(F)F
InChIInChI=1S/C19H18F5N5O/c1-18(30,19(22,23)24)10-2-3-15-26-8-14(29(15)9-10)16-12(20)6-13(21)17(28-16)27-11-4-5-25-7-11/h2-3,6,8-9,11,25,30H,4-5,7H2,1H3,(H,27,28)/t11-,18+/m1/s1
InChIKeyHSTTXONKFYYVDC-ZMZPIMSZSA-N
MW427.38 g/mol
LogP3.22
Rot. Bonds4

About (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol

(2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 169129503) has the molecular formula C19H18F5N5O and a molecular weight of 427.38 g/mol. Its IUPAC name is (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID169129503
Molecular FormulaC19H18F5N5O
Molecular Weight427.38 g/mol
Exact Mass427.14
IUPAC Name(2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1ccc2ncc(-c3nc(N[C@@H]4CCNC4)c(F)cc3F)n2c1)C(F)(F)F
InChIInChI=1S/C19H18F5N5O/c1-18(30,19(22,23)24)10-2-3-15-26-8-14(29(15)9-10)16-12(20)6-13(21)17(28-16)27-11-4-5-25-7-11/h2-3,6,8-9,11,25,30H,4-5,7H2,1H3,(H,27,28)/t11-,18+/m1/s1
InChIKeyHSTTXONKFYYVDC-ZMZPIMSZSA-N
XLogP3.22
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol (CID 169129503) is (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol is C[C@](O)(c1ccc2ncc(-c3nc(N[C@@H]4CCNC4)c(F)cc3F)n2c1)C(F)(F)F.
What is the InChIKey of (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is HSTTXONKFYYVDC-ZMZPIMSZSA-N. The full InChI is InChI=1S/C19H18F5N5O/c1-18(30,19(22,23)24)10-2-3-15-26-8-14(29(15)9-10)16-12(20)6-13(21)17(28-16)27-11-4-5-25-7-11/h2-3,6,8-9,11,25,30H,4-5,7H2,1H3,(H,27,28)/t11-,18+/m1/s1.
What are the key properties of (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 427.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 169129503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).