2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide

C27H35ClN6O2 — CID 122485041

IUPAC2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide
SMILESCN1CCC(Nc2c(Cl)cnc3nc(-c4ccc(OCC(=O)NC5CCCCCC5)cc4)[nH]c23)CC1
InChIInChI=1S/C27H35ClN6O2/c1-34-14-12-20(13-15-34)31-24-22(28)16-29-27-25(24)32-26(33-27)18-8-10-21(11-9-18)36-17-23(35)30-19-6-4-2-3-5-7-19/h8-11,16,19-20H,2-7,12-15,17H2,1H3,(H,30,35)(H2,29,31,32,33)
InChIKeyFFTSPNUOOXOFTC-UHFFFAOYSA-N
MW511.07 g/mol
LogP5.00
Rot. Bonds7

About 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide

2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide (PubChem CID 122485041) has the molecular formula C27H35ClN6O2 and a molecular weight of 511.07 g/mol. Its IUPAC name is 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide
PubChem CID122485041
Molecular FormulaC27H35ClN6O2
Molecular Weight511.07 g/mol
Exact Mass510.25
IUPAC Name2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide
SMILESCN1CCC(Nc2c(Cl)cnc3nc(-c4ccc(OCC(=O)NC5CCCCCC5)cc4)[nH]c23)CC1
InChIInChI=1S/C27H35ClN6O2/c1-34-14-12-20(13-15-34)31-24-22(28)16-29-27-25(24)32-26(33-27)18-8-10-21(11-9-18)36-17-23(35)30-19-6-4-2-3-5-7-19/h8-11,16,19-20H,2-7,12-15,17H2,1H3,(H,30,35)(H2,29,31,32,33)
InChIKeyFFTSPNUOOXOFTC-UHFFFAOYSA-N
XLogP5.00
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.07
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide
CID 122484990
methyl 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetate
CID 140829764
2-[4-[6-chloro-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446623
N-butan-2-yl-2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetamide;ethane
CID 145132646
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 122484969
[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl] acetate
CID 175138627
N-[2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]acetamide
CID 122446504
2-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 122446562
2-[4-[6-chloro-7-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446497
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylphenoxy]-N-methylacetamide
CID 122484993
2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 145132638
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 122484871

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide?
The IUPAC name of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide (CID 122485041) is 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide?
The canonical SMILES for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide is CN1CCC(Nc2c(Cl)cnc3nc(-c4ccc(OCC(=O)NC5CCCCCC5)cc4)[nH]c23)CC1.
What is the InChIKey of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide?
The InChIKey is FFTSPNUOOXOFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN6O2/c1-34-14-12-20(13-15-34)31-24-22(28)16-29-27-25(24)32-26(33-27)18-8-10-21(11-9-18)36-17-23(35)30-19-6-4-2-3-5-7-19/h8-11,16,19-20H,2-7,12-15,17H2,1H3,(H,30,35)(H2,29,31,32,33).
What are the key properties of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide?
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide has a molecular weight of 511.07 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide is sourced from PubChem (CID 122485041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).