6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol

C20H21FN6O — CID 137052476

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESN[C@H]1CCCC[C@H]1Nc1nc(-c2cnc3ccccn23)c2c(O)[nH]cc2c1F
InChIInChI=1S/C20H21FN6O/c21-17-11-9-24-20(28)16(11)18(14-10-23-15-7-3-4-8-27(14)15)26-19(17)25-13-6-2-1-5-12(13)22/h3-4,7-10,12-13,24-25,28H,1-2,5-6,22H2/t12-,13+/m0/s1
InChIKeyZASUEGKKIXKYNW-QWHCGFSZSA-N
MW380.43 g/mol
LogP3.40
Rot. Bonds3

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol

6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol (PubChem CID 137052476) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol
PubChem CID137052476
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol
SMILESN[C@H]1CCCC[C@H]1Nc1nc(-c2cnc3ccccn23)c2c(O)[nH]cc2c1F
InChIInChI=1S/C20H21FN6O/c21-17-11-9-24-20(28)16(11)18(14-10-23-15-7-3-4-8-27(14)15)26-19(17)25-13-6-2-1-5-12(13)22/h3-4,7-10,12-13,24-25,28H,1-2,5-6,22H2/t12-,13+/m0/s1
InChIKeyZASUEGKKIXKYNW-QWHCGFSZSA-N
XLogP3.40
TPSA104.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol with MolForge

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Related Compounds

4-[4-phenyl-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 137638482
2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 163718475
2-(3-(3,5-difluoro-6-(((3S,4S)-4-fluoro-pyrrolidin-3-yl)-amino)pyridin-2-yl)-imidazo[1,2-a]-pyridin-6-yl)propan-2-ol
CID 166961613
2-(3-(6-(((3S,4S)-4-fluoropiperidin-3-yl)amino)pyridin-2-yl)imidazo[1,2-a]-pyridin-6-yl)propan-2-ol
CID 166961619
(S)-2-(3-(6-((4,4-difluoropiperidin-3-yl)amino)pyridin-2-yl)imidazo[1,2-a]-pyridin-6-yl)propan-2-ol
CID 166961620
Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6-(((3S,4S)-4-fluoropyrrolidin-3-yl)amino)pyridin-2-yl)imidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 166961626
Fast-eluting diastereomer: 2-(3-(6-((R)-5-azaspiro[2.4]heptan-7-ylamino)pyridin-2-yl)imidazo[1,2-a]pyridin-6-yl)-1,1,1-trifluoropropan-2-ol
CID 166961684
2-(3-(3,5-difluoro-6-(((3S,4S)-4-fluoro-piperidin-3-yl)-amino)pyridin-2-yl)-imidazo[1,2-a]-pyridin-6-yl)propan-2-ol
CID 166961716
1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169074465
[6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 169074480
2-(3-(6-(((3S,4S)-4-fluoropyrrolidin-3-yl)amino)pyridin-2-yl)-7-methoxyimidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 169074527
1,1,1-trifluoro-2-[3-[6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169429063

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol (CID 137052476) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol is N[C@H]1CCCC[C@H]1Nc1nc(-c2cnc3ccccn23)c2c(O)[nH]cc2c1F.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is ZASUEGKKIXKYNW-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-17-11-9-24-20(28)16(11)18(14-10-23-15-7-3-4-8-27(14)15)26-19(17)25-13-6-2-1-5-12(13)22/h3-4,7-10,12-13,24-25,28H,1-2,5-6,22H2/t12-,13+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 380.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-imidazo[1,2-a]pyridin-3-yl-2H-pyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 137052476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).