N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide

C60H60N10O3 — CID 134504991

IUPACN-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide
SMILESCCN(CC)C1(C)CCN(C(Oc2cc(-c3cnc4ccc(-c5ccc(C(=O)N6CCC(C)(NC(C)=O)CC6)cc5)cn34)ccc2C#N)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1
InChIInChI=1S/C60H60N10O3/c1-6-68(7-2)60(5)28-32-67(33-29-60)58(47-18-14-44(15-19-47)50-22-24-55-63-37-52(69(55)39-50)45-10-8-42(35-61)9-11-45)73-54-34-48(20-21-49(54)36-62)53-38-64-56-25-23-51(40-70(53)56)43-12-16-46(17-13-43)57(72)66-30-26-59(4,27-31-66)65-41(3)71/h8-25,34,37-40,58H,6-7,26-33H2,1-5H3,(H,65,71)
InChIKeyQXILOGYEUZILFK-UHFFFAOYSA-N
MW969.21 g/mol
LogP10.80
Rot. Bonds13

About N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide

N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide (PubChem CID 134504991) has the molecular formula C60H60N10O3 and a molecular weight of 969.21 g/mol. Its IUPAC name is N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide
PubChem CID134504991
Molecular FormulaC60H60N10O3
Molecular Weight969.21 g/mol
Exact Mass968.48
IUPAC NameN-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide
SMILESCCN(CC)C1(C)CCN(C(Oc2cc(-c3cnc4ccc(-c5ccc(C(=O)N6CCC(C)(NC(C)=O)CC6)cc5)cn34)ccc2C#N)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1
InChIInChI=1S/C60H60N10O3/c1-6-68(7-2)60(5)28-32-67(33-29-60)58(47-18-14-44(15-19-47)50-22-24-55-63-37-52(69(55)39-50)45-10-8-42(35-61)9-11-45)73-54-34-48(20-21-49(54)36-62)53-38-64-56-25-23-51(40-70(53)56)43-12-16-46(17-13-43)57(72)66-30-26-59(4,27-31-66)65-41(3)71/h8-25,34,37-40,58H,6-7,26-33H2,1-5H3,(H,65,71)
InChIKeyQXILOGYEUZILFK-UHFFFAOYSA-N
XLogP10.80
TPSA147.30 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.21
LogP ≤ 510.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide (CID 134504991) is N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide is CCN(CC)C1(C)CCN(C(Oc2cc(-c3cnc4ccc(-c5ccc(C(=O)N6CCC(C)(NC(C)=O)CC6)cc5)cn34)ccc2C#N)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1.
What is the InChIKey of N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide?
The InChIKey is QXILOGYEUZILFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60N10O3/c1-6-68(7-2)60(5)28-32-67(33-29-60)58(47-18-14-44(15-19-47)50-22-24-55-63-37-52(69(55)39-50)45-10-8-42(35-61)9-11-45)73-54-34-48(20-21-49(54)36-62)53-38-64-56-25-23-51(40-70(53)56)43-12-16-46(17-13-43)57(72)66-30-26-59(4,27-31-66)65-41(3)71/h8-25,34,37-40,58H,6-7,26-33H2,1-5H3,(H,65,71).
What are the key properties of N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide?
N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide has a molecular weight of 969.21 g/mol, XLogP of 10.80, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-[4-cyano-3-[[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]-[4-(diethylamino)-4-methylpiperidin-1-yl]methoxy]phenyl]imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 134504991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).