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

C20H24FN5O — CID 166961619

IUPAC2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1
InChIInChI=1S/C20H24FN5O/c1-20(2,27)13-6-7-19-23-11-17(26(19)12-13)15-4-3-5-18(24-15)25-16-10-22-9-8-14(16)21/h3-7,11-12,14,16,22,27H,8-10H2,1-2H3,(H,24,25)/t14-,16-/m0/s1
InChIKeyHXJNPTQRPZSTHS-HOCLYGCPSA-N
MW369.44 g/mol
LogP2.74
Rot. Bonds4

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

2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 166961619) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID166961619
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1
InChIInChI=1S/C20H24FN5O/c1-20(2,27)13-6-7-19-23-11-17(26(19)12-13)15-4-3-5-18(24-15)25-16-10-22-9-8-14(16)21/h3-7,11-12,14,16,22,27H,8-10H2,1-2H3,(H,24,25)/t14-,16-/m0/s1
InChIKeyHXJNPTQRPZSTHS-HOCLYGCPSA-N
XLogP2.74
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 166961619) is 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1.
What is the InChIKey of 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is HXJNPTQRPZSTHS-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-20(2,27)13-6-7-19-23-11-17(26(19)12-13)15-4-3-5-18(24-15)25-16-10-22-9-8-14(16)21/h3-7,11-12,14,16,22,27H,8-10H2,1-2H3,(H,24,25)/t14-,16-/m0/s1.
What are the key properties of 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 369.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 166961619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).