1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

C22H24N6O — CID 56594788

IUPAC1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCn1cc(-c2ccc3[nH]c4c(C(N)=O)cnc(NC5CCCCC5)c4c3c2)cn1
InChIInChI=1S/C22H24N6O/c1-28-12-14(10-25-28)13-7-8-18-16(9-13)19-20(27-18)17(21(23)29)11-24-22(19)26-15-5-3-2-4-6-15/h7-12,15,27H,2-6H2,1H3,(H2,23,29)(H,24,26)
InChIKeyMFTABEOJHUIVJY-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.96
Rot. Bonds4

About 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 56594788) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID56594788
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCn1cc(-c2ccc3[nH]c4c(C(N)=O)cnc(NC5CCCCC5)c4c3c2)cn1
InChIInChI=1S/C22H24N6O/c1-28-12-14(10-25-28)13-7-8-18-16(9-13)19-20(27-18)17(21(23)29)11-24-22(19)26-15-5-3-2-4-6-15/h7-12,15,27H,2-6H2,1H3,(H2,23,29)(H,24,26)
InChIKeyMFTABEOJHUIVJY-UHFFFAOYSA-N
XLogP3.96
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 56594788) is 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is Cn1cc(-c2ccc3[nH]c4c(C(N)=O)cnc(NC5CCCCC5)c4c3c2)cn1.
What is the InChIKey of 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is MFTABEOJHUIVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-28-12-14(10-25-28)13-7-8-18-16(9-13)19-20(27-18)17(21(23)29)11-24-22(19)26-15-5-3-2-4-6-15/h7-12,15,27H,2-6H2,1H3,(H2,23,29)(H,24,26).
What are the key properties of 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-8-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 56594788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).