N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C49H37FN8O3 — CID 163633481

IUPACN-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ccccc2-c2ccc3ncc(C(=O)NC4CC4Cc4cccc(-c5ccc(Oc6ccccc6F)cc5-c5ccc6ncc(C(N)=O)n6c5)n4)n3c2)n1
InChIInChI=1S/C49H37FN8O3/c1-29-8-6-13-40(54-29)36-11-3-2-10-35(36)30-16-20-47-53-26-44(58(47)27-30)49(60)56-42-23-32(42)22-33-9-7-14-41(55-33)37-19-18-34(61-45-15-5-4-12-39(45)50)24-38(37)31-17-21-46-52-25-43(48(51)59)57(46)28-31/h2-21,24-28,32,42H,22-23H2,1H3,(H2,51,59)(H,56,60)
InChIKeyHYCGHHKYTWKBQN-UHFFFAOYSA-N
MW804.89 g/mol
LogP9.14
Rot. Bonds11

About N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163633481) has the molecular formula C49H37FN8O3 and a molecular weight of 804.89 g/mol. Its IUPAC name is N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID163633481
Molecular FormulaC49H37FN8O3
Molecular Weight804.89 g/mol
Exact Mass804.30
IUPAC NameN-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ccccc2-c2ccc3ncc(C(=O)NC4CC4Cc4cccc(-c5ccc(Oc6ccccc6F)cc5-c5ccc6ncc(C(N)=O)n6c5)n4)n3c2)n1
InChIInChI=1S/C49H37FN8O3/c1-29-8-6-13-40(54-29)36-11-3-2-10-35(36)30-16-20-47-53-26-44(58(47)27-30)49(60)56-42-23-32(42)22-33-9-7-14-41(55-33)37-19-18-34(61-45-15-5-4-12-39(45)50)24-38(37)31-17-21-46-52-25-43(48(51)59)57(46)28-31/h2-21,24-28,32,42H,22-23H2,1H3,(H2,51,59)(H,56,60)
InChIKeyHYCGHHKYTWKBQN-UHFFFAOYSA-N
XLogP9.14
TPSA141.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.89
LogP ≤ 59.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190427
N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59190447
N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59190453
N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190462
N-[4-[[5-fluoro-2-[3-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190464
N-[4-[[2-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190503
N-[4-[[2-[3-[4-[(dimethylamino)methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190526
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 71761821
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 71762053
N-[(4-methoxyphenyl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164626993
2-[4-[4-[2-[[4-(4-Fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71695804
(Z)-2-[(3R)-3-[8-amino-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]-4-methyl-4-(4-methyl-3-oxopiperazin-1-yl)pent-2-enenitrile
CID 124160668

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 163633481) is N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2ccccc2-c2ccc3ncc(C(=O)NC4CC4Cc4cccc(-c5ccc(Oc6ccccc6F)cc5-c5ccc6ncc(C(N)=O)n6c5)n4)n3c2)n1.
What is the InChIKey of N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HYCGHHKYTWKBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37FN8O3/c1-29-8-6-13-40(54-29)36-11-3-2-10-35(36)30-16-20-47-53-26-44(58(47)27-30)49(60)56-42-23-32(42)22-33-9-7-14-41(55-33)37-19-18-34(61-45-15-5-4-12-39(45)50)24-38(37)31-17-21-46-52-25-43(48(51)59)57(46)28-31/h2-21,24-28,32,42H,22-23H2,1H3,(H2,51,59)(H,56,60).
What are the key properties of N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 804.89 g/mol, XLogP of 9.14, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-4-(2-fluorophenoxy)phenyl]-2-pyridinyl]methyl]cyclopropyl]-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163633481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).