1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine

C24H26F2N8O — CID 152506126

IUPAC1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1cnc(C2(N)CCC(N)CC2)nc1-c1cnc2ccc(Nc3ccc(OC(F)F)nc3)cn12
InChIInChI=1S/C24H26F2N8O/c1-14-10-31-22(24(28)8-6-15(27)7-9-24)33-21(14)18-12-29-19-4-2-17(13-34(18)19)32-16-3-5-20(30-11-16)35-23(25)26/h2-5,10-13,15,23,32H,6-9,27-28H2,1H3
InChIKeyYEMSRFFMRVEQRU-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.90
Rot. Bonds6

About 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine

1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 152506126) has the molecular formula C24H26F2N8O and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID152506126
Molecular FormulaC24H26F2N8O
Molecular Weight480.52 g/mol
Exact Mass480.22
IUPAC Name1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1cnc(C2(N)CCC(N)CC2)nc1-c1cnc2ccc(Nc3ccc(OC(F)F)nc3)cn12
InChIInChI=1S/C24H26F2N8O/c1-14-10-31-22(24(28)8-6-15(27)7-9-24)33-21(14)18-12-29-19-4-2-17(13-34(18)19)32-16-3-5-20(30-11-16)35-23(25)26/h2-5,10-13,15,23,32H,6-9,27-28H2,1H3
InChIKeyYEMSRFFMRVEQRU-UHFFFAOYSA-N
XLogP3.90
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2,4-Disubstituted Pyrimidine 2g
CID 5329420
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
2-[3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 66788835
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 164536645
2-(4-allyloxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine
CID 10117496
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
CID 165135384

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine (CID 152506126) is 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine is Cc1cnc(C2(N)CCC(N)CC2)nc1-c1cnc2ccc(Nc3ccc(OC(F)F)nc3)cn12.
What is the InChIKey of 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is YEMSRFFMRVEQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O/c1-14-10-31-22(24(28)8-6-15(27)7-9-24)33-21(14)18-12-29-19-4-2-17(13-34(18)19)32-16-3-5-20(30-11-16)35-23(25)26/h2-5,10-13,15,23,32H,6-9,27-28H2,1H3.
What are the key properties of 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine?
1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 480.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 152506126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).