1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

C22H24N6O — CID 42635949

IUPAC1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1
InChIInChI=1S/C22H24N6O/c1-3-17(12-4-5-12)27-22-19-15-7-6-13(14-9-25-28(2)11-14)8-18(15)26-20(19)16(10-24-22)21(23)29/h6-12,17,26H,3-5H2,1-2H3,(H2,23,29)(H,24,27)
InChIKeyNAQHFYOEQBTMQW-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.82
Rot. Bonds6

About 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide

1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42635949) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42635949
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCCC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1
InChIInChI=1S/C22H24N6O/c1-3-17(12-4-5-12)27-22-19-15-7-6-13(14-9-25-28(2)11-14)8-18(15)26-20(19)16(10-24-22)21(23)29/h6-12,17,26H,3-5H2,1-2H3,(H2,23,29)(H,24,27)
InChIKeyNAQHFYOEQBTMQW-UHFFFAOYSA-N
XLogP3.82
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42635949) is 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is CCC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1.
What is the InChIKey of 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is NAQHFYOEQBTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-17(12-4-5-12)27-22-19-15-7-6-13(14-9-25-28(2)11-14)8-18(15)26-20(19)16(10-24-22)21(23)29/h6-12,17,26H,3-5H2,1-2H3,(H2,23,29)(H,24,27).
What are the key properties of 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropylamino)-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42635949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).