9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide

C27H24N4O2 — CID 78426723

IUPAC9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(-c3ccncc3)cc1n2CC1CC1
InChIInChI=1S/C27H24N4O2/c1-15-25(16(2)33-30-15)20-11-22-21-6-5-19(18-7-9-29-10-8-18)13-24(21)31(14-17-3-4-17)26(22)23(12-20)27(28)32/h5-13,17H,3-4,14H2,1-2H3,(H2,28,32)
InChIKeyPFDLQUBERQSLDE-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.64
Rot. Bonds5

About 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide

9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide (PubChem CID 78426723) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide
PubChem CID78426723
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(-c3ccncc3)cc1n2CC1CC1
InChIInChI=1S/C27H24N4O2/c1-15-25(16(2)33-30-15)20-11-22-21-6-5-19(18-7-9-29-10-8-18)13-24(21)31(14-17-3-4-17)26(22)23(12-20)27(28)32/h5-13,17H,3-4,14H2,1-2H3,(H2,28,32)
InChIKeyPFDLQUBERQSLDE-UHFFFAOYSA-N
XLogP5.64
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide?
The IUPAC name of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide (CID 78426723) is 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide?
The canonical SMILES for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(-c3ccncc3)cc1n2CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide?
The InChIKey is PFDLQUBERQSLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-15-25(16(2)33-30-15)20-11-22-21-6-5-19(18-7-9-29-10-8-18)13-24(21)31(14-17-3-4-17)26(22)23(12-20)27(28)32/h5-13,17H,3-4,14H2,1-2H3,(H2,28,32).
What are the key properties of 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide?
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-pyridin-4-ylcarbazole-1-carboxamide is sourced from PubChem (CID 78426723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).