4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide

C20H22ClN7O2 — CID 139365880

IUPAC4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide
SMILESCCNC(=O)C1=CC=C(c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)CC1OC
InChIInChI=1S/C20H22ClN7O2/c1-4-22-19(29)12-6-5-11(9-16(12)30-3)18-25-20(28(2)27-18)24-15-8-7-14-13(17(15)21)10-23-26-14/h5-8,10,16H,4,9H2,1-3H3,(H,22,29)(H,23,26)(H,24,25,27)
InChIKeyAZIFHCOSTNTZEP-UHFFFAOYSA-N
MW427.90 g/mol
LogP2.95
Rot. Bonds6

About 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide (PubChem CID 139365880) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide
PubChem CID139365880
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC Name4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide
SMILESCCNC(=O)C1=CC=C(c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)CC1OC
InChIInChI=1S/C20H22ClN7O2/c1-4-22-19(29)12-6-5-11(9-16(12)30-3)18-25-20(28(2)27-18)24-15-8-7-14-13(17(15)21)10-23-26-14/h5-8,10,16H,4,9H2,1-3H3,(H,22,29)(H,23,26)(H,24,25,27)
InChIKeyAZIFHCOSTNTZEP-UHFFFAOYSA-N
XLogP2.95
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide with MolForge

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Related Compounds

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide
CID 153329047
N-[2-[5-[[5-[4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxycyclohexa-1,3-dien-1-yl]-2-methyl-1,2,4-triazol-3-yl]amino]-4-chloroindazol-1-yl]-1-hydroxycyclopropyl]-2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-6-methoxycyclohexa-1,3-dien-1-yl]oxyacetamide
CID 167157821
methyl 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]acetate
CID 139366003
3-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]propanoic acid
CID 175049616
N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
CID 139365795
N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
CID 139348288
4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
CID 139365544
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365751
7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one
CID 153329058
2-[3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139365738
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide
CID 167579526
4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide
CID 160952338

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide (CID 139365880) is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide is CCNC(=O)C1=CC=C(c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)CC1OC.
What is the InChIKey of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide?
The InChIKey is AZIFHCOSTNTZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-4-22-19(29)12-6-5-11(9-16(12)30-3)18-25-20(28(2)27-18)24-15-8-7-14-13(17(15)21)10-23-26-14/h5-8,10,16H,4,9H2,1-3H3,(H,22,29)(H,23,26)(H,24,25,27).
What are the key properties of 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide?
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide has a molecular weight of 427.90 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-6-methoxycyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 139365880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).