7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide

C23H24N7O+ — CID 123625321

IUPAC7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide
SMILESNC(=O)c1c[nH+]c(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)cn3)ccc12
InChIInChI=1S/C23H23N7O/c24-18-10-26-17(9-27-18)13-5-6-14-16(7-13)29-21-15(22(25)31)8-28-23(19(14)21)30-20(11-1-2-11)12-3-4-12/h5-12,20,29H,1-4H2,(H2,24,27)(H2,25,31)(H,28,30)/p+1
InChIKeyAJAZCQSMDCWFSC-UHFFFAOYSA-O
MW414.49 g/mol
LogP2.87
Rot. Bonds6

About 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide

7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide (PubChem CID 123625321) has the molecular formula C23H24N7O+ and a molecular weight of 414.49 g/mol. Its IUPAC name is 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide.

Molecular Properties

Compound Name7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide
PubChem CID123625321
Molecular FormulaC23H24N7O+
Molecular Weight414.49 g/mol
Exact Mass414.20
IUPAC Name7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide
SMILESNC(=O)c1c[nH+]c(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)cn3)ccc12
InChIInChI=1S/C23H23N7O/c24-18-10-26-17(9-27-18)13-5-6-14-16(7-13)29-21-15(22(25)31)8-28-23(19(14)21)30-20(11-1-2-11)12-3-4-12/h5-12,20,29H,1-4H2,(H2,24,27)(H2,25,31)(H,28,30)/p+1
InChIKeyAJAZCQSMDCWFSC-UHFFFAOYSA-O
XLogP2.87
TPSA136.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide with MolForge

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Related Compounds

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
7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635904
1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42636017
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-iodo-5H-pyrido[4,3-b]indole-4-carboxamide
CID 59543146
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
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
5-amino-2-(dicyclopropylmethylamino)benzamide
CID 61481275
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
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
1-amino-8-bromo-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide
CID 123438607
5-(dicyclopropylmethylamino)-2,4-difluorobenzamide
CID 43673804

Frequently Asked Questions

What is the IUPAC name of 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide?
The IUPAC name of 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide (CID 123625321) is 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide.
What is the SMILES notation for 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide?
The canonical SMILES for 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide is NC(=O)c1c[nH+]c(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)cn3)ccc12.
What is the InChIKey of 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide?
The InChIKey is AJAZCQSMDCWFSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23N7O/c24-18-10-26-17(9-27-18)13-5-6-14-16(7-13)29-21-15(22(25)31)8-28-23(19(14)21)30-20(11-1-2-11)12-3-4-12/h5-12,20,29H,1-4H2,(H2,24,27)(H2,25,31)(H,28,30)/p+1.
What are the key properties of 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide?
7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide is sourced from PubChem (CID 123625321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).