N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide

C28H32N6O2 — CID 11496743

IUPACN-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)n[nH]c4c3)cc(=O)[nH]2)CC1
InChIInChI=1S/C28H32N6O2/c29-16-18-6-8-19(9-7-18)28(36)32-24(12-17-4-2-1-3-5-17)25-14-21(15-26(35)31-25)20-10-11-22-23(13-20)33-34-27(22)30/h1-5,10-11,13-15,18-19,24H,6-9,12,16,29H2,(H,31,35)(H,32,36)(H3,30,33,34)
InChIKeyZJHQLCFLDXDEGP-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.67
Rot. Bonds7

About N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide

N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide (PubChem CID 11496743) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
PubChem CID11496743
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)n[nH]c4c3)cc(=O)[nH]2)CC1
InChIInChI=1S/C28H32N6O2/c29-16-18-6-8-19(9-7-18)28(36)32-24(12-17-4-2-1-3-5-17)25-14-21(15-26(35)31-25)20-10-11-22-23(13-20)33-34-27(22)30/h1-5,10-11,13-15,18-19,24H,6-9,12,16,29H2,(H,31,35)(H,32,36)(H3,30,33,34)
InChIKeyZJHQLCFLDXDEGP-UHFFFAOYSA-N
XLogP3.67
TPSA142.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide (CID 11496743) is N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)n[nH]c4c3)cc(=O)[nH]2)CC1.
What is the InChIKey of N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide?
The InChIKey is ZJHQLCFLDXDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c29-16-18-6-8-19(9-7-18)28(36)32-24(12-17-4-2-1-3-5-17)25-14-21(15-26(35)31-25)20-10-11-22-23(13-20)33-34-27(22)30/h1-5,10-11,13-15,18-19,24H,6-9,12,16,29H2,(H,31,35)(H,32,36)(H3,30,33,34).
What are the key properties of N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide?
N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.67, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11496743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).