1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

C23H26N6O — CID 42635982

IUPAC1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCC(C)C(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1
InChIInChI=1S/C23H26N6O/c1-12(2)20(13-4-5-13)28-23-19-16-7-6-14(15-9-26-29(3)11-15)8-18(16)27-21(19)17(10-25-23)22(24)30/h6-13,20,27H,4-5H2,1-3H3,(H2,24,30)(H,25,28)
InChIKeyIJGITWYHJMNRMO-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.06
Rot. Bonds6

About 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42635982) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42635982
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCC(C)C(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1
InChIInChI=1S/C23H26N6O/c1-12(2)20(13-4-5-13)28-23-19-16-7-6-14(15-9-26-29(3)11-15)8-18(16)27-21(19)17(10-25-23)22(24)30/h6-13,20,27H,4-5H2,1-3H3,(H2,24,30)(H,25,28)
InChIKeyIJGITWYHJMNRMO-UHFFFAOYSA-N
XLogP4.06
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42635982) is 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is CC(C)C(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1.
What is the InChIKey of 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is IJGITWYHJMNRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-12(2)20(13-4-5-13)28-23-19-16-7-6-14(15-9-26-29(3)11-15)8-18(16)27-21(19)17(10-25-23)22(24)30/h6-13,20,27H,4-5H2,1-3H3,(H2,24,30)(H,25,28).
What are the key properties of 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-2-methylpropyl)amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42635982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).