2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol

C20H23F2N5O2 — CID 166961812

IUPAC2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3nc(NC4CCNC4)c(F)cc3F)n2cc1C(C)(C)O
InChIInChI=1S/C20H23F2N5O2/c1-20(2,28)12-10-27-15(9-24-17(27)7-16(12)29-3)18-13(21)6-14(22)19(26-18)25-11-4-5-23-8-11/h6-7,9-11,23,28H,4-5,8H2,1-3H3,(H,25,26)
InChIKeyGWVUNEYOAWWRGK-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.68
Rot. Bonds5

About 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol

2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 166961812) has the molecular formula C20H23F2N5O2 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID166961812
Molecular FormulaC20H23F2N5O2
Molecular Weight403.43 g/mol
Exact Mass403.18
IUPAC Name2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3nc(NC4CCNC4)c(F)cc3F)n2cc1C(C)(C)O
InChIInChI=1S/C20H23F2N5O2/c1-20(2,28)12-10-27-15(9-24-17(27)7-16(12)29-3)18-13(21)6-14(22)19(26-18)25-11-4-5-23-8-11/h6-7,9-11,23,28H,4-5,8H2,1-3H3,(H,25,26)
InChIKeyGWVUNEYOAWWRGK-UHFFFAOYSA-N
XLogP2.68
TPSA83.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961740
(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
2-[3-(6-amino-3,5-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129444
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-[3,5-difluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 167137149
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
3,5-difluoro-6-[7-methoxy-6-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine
CID 170769638
(2S)-2-[3-[3,5-difluoro-6-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 177159627
2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129789
2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961630
3,5-difluoro-6-[7-methoxy-6-(oxetan-2-yl)imidazo[1,2-b]pyridazin-3-yl]-N-piperidin-3-ylpyridin-2-amine;ethane
CID 170631237
1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449935

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 166961812) is 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol is COc1cc2ncc(-c3nc(NC4CCNC4)c(F)cc3F)n2cc1C(C)(C)O.
What is the InChIKey of 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is GWVUNEYOAWWRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O2/c1-20(2,28)12-10-27-15(9-24-17(27)7-16(12)29-3)18-13(21)6-14(22)19(26-18)25-11-4-5-23-8-11/h6-7,9-11,23,28H,4-5,8H2,1-3H3,(H,25,26).
What are the key properties of 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 403.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-difluoro-6-(pyrrolidin-3-ylamino)-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 166961812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).