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

C23H22N6O — CID 42636016

IUPAC1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cccnn3)ccc12
InChIInChI=1S/C23H22N6O/c24-22(30)16-11-25-23(28-20(12-3-4-12)13-5-6-13)19-15-8-7-14(10-18(15)27-21(16)19)17-2-1-9-26-29-17/h1-2,7-13,20,27H,3-6H2,(H2,24,30)(H,25,28)
InChIKeyMJSGAQVMOHSLBX-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.87
Rot. Bonds6

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

1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42636016) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42636016
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cccnn3)ccc12
InChIInChI=1S/C23H22N6O/c24-22(30)16-11-25-23(28-20(12-3-4-12)13-5-6-13)19-15-8-7-14(10-18(15)27-21(16)19)17-2-1-9-26-29-17/h1-2,7-13,20,27H,3-6H2,(H2,24,30)(H,25,28)
InChIKeyMJSGAQVMOHSLBX-UHFFFAOYSA-N
XLogP3.87
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk 343
CID 71268957
Unc1999
CID 72551585
3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide
CID 24896610
7-(2-Aminopyrimidin-5-yl)-1-{[(1r)-1-cyclopropyl-2,2,2-trifluoroethyl]amino}-5h-pyrido[4,3-b]indole-4-carboxamide
CID 42622934
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635854
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635855
7-(2-Aminopyrimidin-5-yl)-1-[(dicyclopropylmethyl)amino]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635901
1-[[(1S)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635944
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-N-methylpyridine-3-carboxamide
CID 146597342
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carboxamide
CID 146646636
3-({4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138045

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42636016) is 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cccnn3)ccc12.
What is the InChIKey of 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is MJSGAQVMOHSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-22(30)16-11-25-23(28-20(12-3-4-12)13-5-6-13)19-15-8-7-14(10-18(15)27-21(16)19)17-2-1-9-26-29-17/h1-2,7-13,20,27H,3-6H2,(H2,24,30)(H,25,28).
What are the key properties of 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42636016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).