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

C21H26FN5O2 — CID 166961630

IUPAC2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3cccc(NC4CNC[C@@H](F)C4)n3)n2cc1C(C)(C)O
InChIInChI=1S/C21H26FN5O2/c1-21(2,28)15-12-27-17(11-24-20(27)8-18(15)29-3)16-5-4-6-19(26-16)25-14-7-13(22)9-23-10-14/h4-6,8,11-14,23,28H,7,9-10H2,1-3H3,(H,25,26)/t13-,14?/m0/s1
InChIKeyWRBUWJGULGIHKP-LSLKUGRBSA-N
MW399.47 g/mol
LogP2.74
Rot. Bonds5

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

2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 166961630) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID166961630
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3cccc(NC4CNC[C@@H](F)C4)n3)n2cc1C(C)(C)O
InChIInChI=1S/C21H26FN5O2/c1-21(2,28)15-12-27-17(11-24-20(27)8-18(15)29-3)16-5-4-6-19(26-16)25-14-7-13(22)9-23-10-14/h4-6,8,11-14,23,28H,7,9-10H2,1-3H3,(H,25,26)/t13-,14?/m0/s1
InChIKeyWRBUWJGULGIHKP-LSLKUGRBSA-N
XLogP2.74
TPSA83.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129789
2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961740
6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-(5-methylpiperidin-3-yl)pyridin-2-amine
CID 169129461
ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 170591549
2-[3-[6-[[(3S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
CID 174290597
1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166961707
1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
CID 169129615
2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961812
6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine
CID 166961670
1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
CID 169129571
1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166961617
1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449985

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 166961630) is 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol is COc1cc2ncc(-c3cccc(NC4CNC[C@@H](F)C4)n3)n2cc1C(C)(C)O.
What is the InChIKey of 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is WRBUWJGULGIHKP-LSLKUGRBSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-21(2,28)15-12-27-17(11-24-20(27)8-18(15)29-3)16-5-4-6-19(26-16)25-14-7-13(22)9-23-10-14/h4-6,8,11-14,23,28H,7,9-10H2,1-3H3,(H,25,26)/t13-,14?/m0/s1.
What are the key properties of 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 399.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 166961630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).