N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide

C29H37N5O — CID 138670743

IUPACN-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5ccc(C6CC6)nc5CC4)CC3)cccc2n1
InChIInChI=1S/C29H37N5O/c1-33-19-25-24(3-2-4-28(25)32-33)29(35)30-23-10-5-20(6-11-23)13-16-34-17-14-22-9-12-26(21-7-8-21)31-27(22)15-18-34/h2-4,9,12,19-21,23H,5-8,10-11,13-18H2,1H3,(H,30,35)
InChIKeyBIYGZOAYJAQYDW-UHFFFAOYSA-N
MW471.65 g/mol
LogP4.63
Rot. Bonds6

About N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide

N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (PubChem CID 138670743) has the molecular formula C29H37N5O and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
PubChem CID138670743
Molecular FormulaC29H37N5O
Molecular Weight471.65 g/mol
Exact Mass471.30
IUPAC NameN-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NC3CCC(CCN4CCc5ccc(C6CC6)nc5CC4)CC3)cccc2n1
InChIInChI=1S/C29H37N5O/c1-33-19-25-24(3-2-4-28(25)32-33)29(35)30-23-10-5-20(6-11-23)13-16-34-17-14-22-9-12-26(21-7-8-21)31-27(22)15-18-34/h2-4,9,12,19-21,23H,5-8,10-11,13-18H2,1H3,(H,30,35)
InChIKeyBIYGZOAYJAQYDW-UHFFFAOYSA-N
XLogP4.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The IUPAC name of N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide (CID 138670743) is N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is Cn1cc2c(C(=O)NC3CCC(CCN4CCc5ccc(C6CC6)nc5CC4)CC3)cccc2n1.
What is the InChIKey of N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
The InChIKey is BIYGZOAYJAQYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O/c1-33-19-25-24(3-2-4-28(25)32-33)29(35)30-23-10-5-20(6-11-23)13-16-34-17-14-22-9-12-26(21-7-8-21)31-27(22)15-18-34/h2-4,9,12,19-21,23H,5-8,10-11,13-18H2,1H3,(H,30,35).
What are the key properties of N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide?
N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide is sourced from PubChem (CID 138670743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).