7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide

C27H27N5O2 — CID 66605216

IUPAC7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(C(=O)N3CCN(CC4CC4)CC3)ccc12
InChIInChI=1S/C27H27N5O2/c28-26(33)21-15-22(18-4-2-1-3-5-18)29-24-20-9-8-19(14-23(20)30-25(21)24)27(34)32-12-10-31(11-13-32)16-17-6-7-17/h1-5,8-9,14-15,17,30H,6-7,10-13,16H2,(H2,28,33)
InChIKeyYGXCKJVGVKKNCH-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.65
Rot. Bonds5

About 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide

7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605216) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605216
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(C(=O)N3CCN(CC4CC4)CC3)ccc12
InChIInChI=1S/C27H27N5O2/c28-26(33)21-15-22(18-4-2-1-3-5-18)29-24-20-9-8-19(14-23(20)30-25(21)24)27(34)32-12-10-31(11-13-32)16-17-6-7-17/h1-5,8-9,14-15,17,30H,6-7,10-13,16H2,(H2,28,33)
InChIKeyYGXCKJVGVKKNCH-UHFFFAOYSA-N
XLogP3.65
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 158118957
2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604393
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604281
7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604540
2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide
CID 90726434
7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide
CID 66605279
2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604426
1-[7-(1-methylpyrrolidin-1-ium-1-carbonyl)-2-phenyl-5H-pyrido[3,2-b]indol-4-yl]ethanone
CID 91112398
2-(3-chloro-4-fluorophenyl)-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66612487
3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 66605845
7-(morpholine-4-carbonyl)-3-(2-phenylethenyl)-9H-carbazole-1-carboxamide
CID 66605058
2-(4-chlorophenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604854

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605216) is 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(C(=O)N3CCN(CC4CC4)CC3)ccc12.
What is the InChIKey of 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is YGXCKJVGVKKNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c28-26(33)21-15-22(18-4-2-1-3-5-18)29-24-20-9-8-19(14-23(20)30-25(21)24)27(34)32-12-10-31(11-13-32)16-17-6-7-17/h1-5,8-9,14-15,17,30H,6-7,10-13,16H2,(H2,28,33).
What are the key properties of 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide?
7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).