7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide

C29H29N9O3 — CID 141366116

IUPAC7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(NC(=O)Cc2nn[nH]n2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12
InChIInChI=1S/C29H29N9O3/c1-16-18(4-3-5-22(16)31-25(39)15-24-33-35-36-34-24)19-8-9-21(28(30)40)27-26(19)20-7-6-17(14-23(20)32-27)29(41)38-12-10-37(2)11-13-38/h3-9,14,32H,10-13,15H2,1-2H3,(H2,30,40)(H,31,39)(H,33,34,35,36)
InChIKeyHZMJYHVEVABQQA-UHFFFAOYSA-N
MW551.61 g/mol
LogP2.48
Rot. Bonds6

About 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide

7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide (PubChem CID 141366116) has the molecular formula C29H29N9O3 and a molecular weight of 551.61 g/mol. Its IUPAC name is 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide
PubChem CID141366116
Molecular FormulaC29H29N9O3
Molecular Weight551.61 g/mol
Exact Mass551.24
IUPAC Name7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(NC(=O)Cc2nn[nH]n2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12
InChIInChI=1S/C29H29N9O3/c1-16-18(4-3-5-22(16)31-25(39)15-24-33-35-36-34-24)19-8-9-21(28(30)40)27-26(19)20-7-6-17(14-23(20)32-27)29(41)38-12-10-37(2)11-13-38/h3-9,14,32H,10-13,15H2,1-2H3,(H2,30,40)(H,31,39)(H,33,34,35,36)
InChIKeyHZMJYHVEVABQQA-UHFFFAOYSA-N
XLogP2.48
TPSA165.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.61
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[(4-chlorophenyl)carbamoylamino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366129
4-[2-methyl-3-[(2-methyl-2-phenylpropanoyl)amino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366107
4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 141366033
4-[2-(aminomethyl)-3-(pyridine-4-carbonylamino)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 174734487
4-[3-[(7-fluoroquinazolin-4-yl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366138
4-[5-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366324
4-(4-tert-butylphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 122191233
4-(2-fluoro-6-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 174635626
4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366346
4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366182
4-[2-(aminomethyl)-3-[(4-fluorobenzoyl)amino]phenyl]-7-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 174734552
4-amino-3-fluoro-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 145069415

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide (CID 141366116) is 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide is Cc1c(NC(=O)Cc2nn[nH]n2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12.
What is the InChIKey of 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide?
The InChIKey is HZMJYHVEVABQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N9O3/c1-16-18(4-3-5-22(16)31-25(39)15-24-33-35-36-34-24)19-8-9-21(28(30)40)27-26(19)20-7-6-17(14-23(20)32-27)29(41)38-12-10-37(2)11-13-38/h3-9,14,32H,10-13,15H2,1-2H3,(H2,30,40)(H,31,39)(H,33,34,35,36).
What are the key properties of 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide?
7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide has a molecular weight of 551.61 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141366116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).