N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

C26H26N6O2 — CID 11949550

IUPACN-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1nncc2cc(C(=O)NCc3ccccc3)c(C)n12
InChIInChI=1S/C26H26N6O2/c1-16-8-9-19(24(33)29-20-10-11-20)12-23(16)30-26-31-28-15-21-13-22(17(2)32(21)26)25(34)27-14-18-6-4-3-5-7-18/h3-9,12-13,15,20H,10-11,14H2,1-2H3,(H,27,34)(H,29,33)(H,30,31)
InChIKeyWEYVJGVGTJKSPZ-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.91
Rot. Bonds7

About N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide (PubChem CID 11949550) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
PubChem CID11949550
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1nncc2cc(C(=O)NCc3ccccc3)c(C)n12
InChIInChI=1S/C26H26N6O2/c1-16-8-9-19(24(33)29-20-10-11-20)12-23(16)30-26-31-28-15-21-13-22(17(2)32(21)26)25(34)27-14-18-6-4-3-5-7-18/h3-9,12-13,15,20H,10-11,14H2,1-2H3,(H,27,34)(H,29,33)(H,30,31)
InChIKeyWEYVJGVGTJKSPZ-UHFFFAOYSA-N
XLogP3.91
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
CID 11516731
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N,6-dimethylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;N-cyclopropyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide;ethyl 4-[3-(cyclopropylcarbamoyl)anilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-[5-(ethylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 4-(4-methoxycarbonylanilino)-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxylate;ethyl 6-methyl-4-[2-methyl-5-(phenylcarbamoyl)anilino]pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
CID 161168855
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
[4-bromo-2-[5-(cyclopropylcarbamoyl)-2-methylanilino]-1,3-thiazol-5-yl] N-benzylcarbamate
CID 87581527
4-(2-acetyl-2,3-dihydrothiophen-5-yl)-N-benzyl-2-[5-(cyclopropylcarbamoyl)-2-methylanilino]-1,3-thiazole-5-carboxamide
CID 89112306
N-benzyl-2-[5-(cyclopropylcarbamoyl)-2-methylanilino]-4-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 11261880
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
4-[3-(3-aminopropanoylamino)phenyl]-N-benzyl-2-[5-(cyclopropylcarbamoyl)-2-methylanilino]-1,3-thiazole-5-carboxamide
CID 11239781
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide
CID 1407652
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155530054

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The IUPAC name of N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide (CID 11949550) is N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The canonical SMILES for N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1nncc2cc(C(=O)NCc3ccccc3)c(C)n12.
What is the InChIKey of N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
The InChIKey is WEYVJGVGTJKSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-16-8-9-19(24(33)29-20-10-11-20)12-23(16)30-26-31-28-15-21-13-22(17(2)32(21)26)25(34)27-14-18-6-4-3-5-7-18/h3-9,12-13,15,20H,10-11,14H2,1-2H3,(H,27,34)(H,29,33)(H,30,31).
What are the key properties of N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide?
N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-6-methylpyrrolo[1,2-d][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 11949550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).