3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C24H22ClN5O2 — CID 86767073

IUPAC3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(Cl)nc4)cc23)CC1
InChIInChI=1S/C24H22ClN5O2/c1-29-6-8-30(9-7-29)24(32)14-2-4-17-18-10-16(15-3-5-21(25)27-13-15)11-19(23(26)31)22(18)28-20(17)12-14/h2-5,10-13,28H,6-9H2,1H3,(H2,26,31)
InChIKeyOQKMODGWIYUONY-UHFFFAOYSA-N
MW447.93 g/mol
LogP3.52
Rot. Bonds3

About 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 86767073) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID86767073
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(Cl)nc4)cc23)CC1
InChIInChI=1S/C24H22ClN5O2/c1-29-6-8-30(9-7-29)24(32)14-2-4-17-18-10-16(15-3-5-21(25)27-13-15)11-19(23(26)31)22(18)28-20(17)12-14/h2-5,10-13,28H,6-9H2,1H3,(H2,26,31)
InChIKeyOQKMODGWIYUONY-UHFFFAOYSA-N
XLogP3.52
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 86767073) is 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(Cl)nc4)cc23)CC1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is OQKMODGWIYUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-29-6-8-30(9-7-29)24(32)14-2-4-17-18-10-16(15-3-5-21(25)27-13-15)11-19(23(26)31)22(18)28-20(17)12-14/h2-5,10-13,28H,6-9H2,1H3,(H2,26,31).
What are the key properties of 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 86767073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).