[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate

C20H23N7O2 — CID 139365724

IUPAC[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC1=CC=C(c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)CC1
InChIInChI=1S/C20H23N7O2/c1-12(2)22-20(28)29-11-13-3-5-14(6-4-13)18-24-19(27-26-18)23-16-7-8-17-15(9-16)10-21-25-17/h3,5,7-10,12H,4,6,11H2,1-2H3,(H,21,25)(H,22,28)(H2,23,24,26,27)
InChIKeySUUFHPFGHZFFDA-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.66
Rot. Bonds6

About [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate

[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate (PubChem CID 139365724) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate
PubChem CID139365724
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC1=CC=C(c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)CC1
InChIInChI=1S/C20H23N7O2/c1-12(2)22-20(28)29-11-13-3-5-14(6-4-13)18-24-19(27-26-18)23-16-7-8-17-15(9-16)10-21-25-17/h3,5,7-10,12H,4,6,11H2,1-2H3,(H,21,25)(H,22,28)(H2,23,24,26,27)
InChIKeySUUFHPFGHZFFDA-UHFFFAOYSA-N
XLogP3.66
TPSA120.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365719
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365624
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-6-methoxycyclohexa-1,3-dien-1-yl]oxy-N-methylacetamide
CID 139365715
2-[[4-[3-[[7-[[5-[[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]oxymethyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-indazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenyl]methylamino]-N-propan-2-ylacetamide
CID 139365886
2-[6-chloro-4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]oxy-N-[1-[5-[[5-(4-hydroxycyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-3-yl]amino]-1H-indazol-2-ium-2-yl]propan-2-yl]acetamide
CID 153329011
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylacetamide
CID 153329044
6-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 137379434
2-[3-[4-(1H-indazol-5-ylamino)-6-methylpyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 118334773
3-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-N-pyrrolidin-3-ylpropanamide
CID 139365631
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774547

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate?
The IUPAC name of [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate (CID 139365724) is [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCC1=CC=C(c2nc(Nc3ccc4[nH]ncc4c3)n[nH]2)CC1.
What is the InChIKey of [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate?
The InChIKey is SUUFHPFGHZFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-12(2)22-20(28)29-11-13-3-5-14(6-4-13)18-24-19(27-26-18)23-16-7-8-17-15(9-16)10-21-25-17/h3,5,7-10,12H,4,6,11H2,1-2H3,(H,21,25)(H,22,28)(H2,23,24,26,27).
What are the key properties of [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate?
[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate has a molecular weight of 393.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]cyclohexa-1,3-dien-1-yl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 139365724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).