N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide

C22H24ClN7O — CID 136502605

IUPACN-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(=C2NC(c3cc4cccc(Cl)c4[nH]3)=C3C(N)=NC=NN23)CC1
InChIInChI=1S/C22H24ClN7O/c1-12(31)25-10-13-5-7-14(8-6-13)22-29-19(20-21(24)26-11-27-30(20)22)17-9-15-3-2-4-16(23)18(15)28-17/h2-4,9,11,13,28-29H,5-8,10H2,1H3,(H,25,31)(H2,24,26,27)/b22-14-
InChIKeyRNJNCAZCOREORL-HMAPJEAMSA-N
MW437.94 g/mol
LogP3.25
Rot. Bonds3

About N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide

N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide (PubChem CID 136502605) has the molecular formula C22H24ClN7O and a molecular weight of 437.94 g/mol. Its IUPAC name is N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide
PubChem CID136502605
Molecular FormulaC22H24ClN7O
Molecular Weight437.94 g/mol
Exact Mass437.17
IUPAC NameN-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(=C2NC(c3cc4cccc(Cl)c4[nH]3)=C3C(N)=NC=NN23)CC1
InChIInChI=1S/C22H24ClN7O/c1-12(31)25-10-13-5-7-14(8-6-13)22-29-19(20-21(24)26-11-27-30(20)22)17-9-15-3-2-4-16(23)18(15)28-17/h2-4,9,11,13,28-29H,5-8,10H2,1H3,(H,25,31)(H2,24,26,27)/b22-14-
InChIKeyRNJNCAZCOREORL-HMAPJEAMSA-N
XLogP3.25
TPSA110.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.94
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 42570314
6-chloro-N-{2-[(3-methylbutyl)amino]-2-oxoethyl}-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide
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N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbutanamide
CID 71825807
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 71826046
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylpropanamide
CID 71826910
6-[(3-chloro-1H-indol-2-yl)methyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 77090099
1-[4-[5-chloro-2-[2-[3-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-1-yl]ethyl]-1H-indol-7-yl]piperidin-1-yl]ethanone
CID 121433445
N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
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N-[[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
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N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
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CID 171644022

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide (CID 136502605) is N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(=C2NC(c3cc4cccc(Cl)c4[nH]3)=C3C(N)=NC=NN23)CC1.
What is the InChIKey of N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide?
The InChIKey is RNJNCAZCOREORL-HMAPJEAMSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-12(31)25-10-13-5-7-14(8-6-13)22-29-19(20-21(24)26-11-27-30(20)22)17-9-15-3-2-4-16(23)18(15)28-17/h2-4,9,11,13,28-29H,5-8,10H2,1H3,(H,25,31)(H2,24,26,27)/b22-14-.
What are the key properties of N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide?
N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide has a molecular weight of 437.94 g/mol, XLogP of 3.25, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-amino-5-(7-chloro-1H-indol-2-yl)-6H-imidazo[5,1-f][1,2,4]triazin-7-ylidene]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 136502605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).