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

C21H20N6O — CID 42636017

IUPAC1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cccnn4)ccc3c12)C1CC1
InChIInChI=1S/C21H20N6O/c1-11(12-4-5-12)25-21-18-14-7-6-13(16-3-2-8-24-27-16)9-17(14)26-19(18)15(10-23-21)20(22)28/h2-3,6-12,26H,4-5H2,1H3,(H2,22,28)(H,23,25)
InChIKeyGKMKEEZZMYUYBR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.48
Rot. Bonds5

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

1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42636017) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42636017
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cccnn4)ccc3c12)C1CC1
InChIInChI=1S/C21H20N6O/c1-11(12-4-5-12)25-21-18-14-7-6-13(16-3-2-8-24-27-16)9-17(14)26-19(18)15(10-23-21)20(22)28/h2-3,6-12,26H,4-5H2,1H3,(H2,22,28)(H,23,25)
InChIKeyGKMKEEZZMYUYBR-UHFFFAOYSA-N
XLogP3.48
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635904
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-iodo-5H-pyrido[4,3-b]indole-4-carboxamide
CID 59543146
7-(1-methylpyrazol-4-yl)-1-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 56595052
1-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 70842044
1-[(3-hydroxy-3-methylbutan-2-yl)amino]-7-(2-pyridin-3-ylethynyl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 59543163
7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide
CID 123625321
7-(2-aminopyrimidin-5-yl)-8-bromo-1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42636081
7-(6-amino-3-pyridinyl)-1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide
CID 123871774
4-[[(1R)-1-cyclopropylethyl]amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237412
1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582128
7-(2-aminopyrimidin-1-ium-5-yl)-1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 123357151
1-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-7-(2-methoxy-1,2-dihydropyridin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 146586575

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42636017) is 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide is CC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cccnn4)ccc3c12)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is GKMKEEZZMYUYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-11(12-4-5-12)25-21-18-14-7-6-13(16-3-2-8-24-27-16)9-17(14)26-19(18)15(10-23-21)20(22)28/h2-3,6-12,26H,4-5H2,1H3,(H2,22,28)(H,23,25).
What are the key properties of 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42636017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).