N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

C28H32N8O2 — CID 11375696

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1cnc(C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)[nH]1
InChIInChI=1S/C28H32N8O2/c1-17-11-19(12-21-15-30-34-25(17)21)13-24(26-29-14-18(2)31-26)33-27(37)35-9-7-22(8-10-35)36-16-20-5-3-4-6-23(20)32-28(36)38/h3-6,11-12,14-15,22,24H,7-10,13,16H2,1-2H3,(H,29,31)(H,30,34)(H,32,38)(H,33,37)
InChIKeyWPPOGGMMKNGUFR-UHFFFAOYSA-N
MW512.62 g/mol
LogP4.41
Rot. Bonds5

About N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 11375696) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID11375696
Molecular FormulaC28H32N8O2
Molecular Weight512.62 g/mol
Exact Mass512.26
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1cnc(C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)[nH]1
InChIInChI=1S/C28H32N8O2/c1-17-11-19(12-21-15-30-34-25(17)21)13-24(26-29-14-18(2)31-26)33-27(37)35-9-7-22(8-10-35)36-16-20-5-3-4-6-23(20)32-28(36)38/h3-6,11-12,14-15,22,24H,7-10,13,16H2,1-2H3,(H,29,31)(H,30,34)(H,32,38)(H,33,37)
InChIKeyWPPOGGMMKNGUFR-UHFFFAOYSA-N
XLogP4.41
TPSA122.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.62
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 11375696) is N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is Cc1cnc(C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is WPPOGGMMKNGUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-17-11-19(12-21-15-30-34-25(17)21)13-24(26-29-14-18(2)31-26)33-27(37)35-9-7-22(8-10-35)36-16-20-5-3-4-6-23(20)32-28(36)38/h3-6,11-12,14-15,22,24H,7-10,13,16H2,1-2H3,(H,29,31)(H,30,34)(H,32,38)(H,33,37).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 512.62 g/mol, XLogP of 4.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11375696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).