N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

C30H33N7O2 — CID 11341430

IUPACN-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1cccc(C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)n1
InChIInChI=1S/C30H33N7O2/c1-19-14-21(15-23-17-31-35-28(19)23)16-27(26-9-5-6-20(2)32-26)34-29(38)36-12-10-24(11-13-36)37-18-22-7-3-4-8-25(22)33-30(37)39/h3-9,14-15,17,24,27H,10-13,16,18H2,1-2H3,(H,31,35)(H,33,39)(H,34,38)
InChIKeyAUZLOKAXTQLSIP-UHFFFAOYSA-N
MW523.64 g/mol
LogP5.08
Rot. Bonds5

About N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 11341430) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID11341430
Molecular FormulaC30H33N7O2
Molecular Weight523.64 g/mol
Exact Mass523.27
IUPAC NameN-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1cccc(C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)n1
InChIInChI=1S/C30H33N7O2/c1-19-14-21(15-23-17-31-35-28(19)23)16-27(26-9-5-6-20(2)32-26)34-29(38)36-12-10-24(11-13-36)37-18-22-7-3-4-8-25(22)33-30(37)39/h3-9,14-15,17,24,27H,10-13,16,18H2,1-2H3,(H,31,35)(H,33,39)(H,34,38)
InChIKeyAUZLOKAXTQLSIP-UHFFFAOYSA-N
XLogP5.08
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53472683
CID 53472683
CID 136653617
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CID 44593666
CID 44593666
CID 134819878
CID 134819878
CID 10289671
CID 10289671
CID 10077700
CID 10077700
CID 10416497
CID 10416497
CID 10416713
CID 10416713
CID 11158071
CID 11158071
CID 11169454
CID 11169454
CID 11204498
CID 11204498
CID 11215446
CID 11215446

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 11341430) is N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is Cc1cccc(C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)n1.
What is the InChIKey of N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is AUZLOKAXTQLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-19-14-21(15-23-17-31-35-28(19)23)16-27(26-9-5-6-20(2)32-26)34-29(38)36-12-10-24(11-13-36)37-18-22-7-3-4-8-25(22)33-30(37)39/h3-9,14-15,17,24,27H,10-13,16,18H2,1-2H3,(H,31,35)(H,33,39)(H,34,38).
What are the key properties of N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 523.64 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11341430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).