7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

C21H21N7O — CID 42635904

IUPAC7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnc(N)nc4)ccc3c12)C1CC1
InChIInChI=1S/C21H21N7O/c1-10(11-2-3-11)27-20-17-14-5-4-12(13-7-25-21(23)26-8-13)6-16(14)28-18(17)15(9-24-20)19(22)29/h4-11,28H,2-3H2,1H3,(H2,22,29)(H,24,27)(H2,23,25,26)
InChIKeyYWKPZFLIOQKSKO-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.06
Rot. Bonds5

About 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 42635904) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID42635904
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESCC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnc(N)nc4)ccc3c12)C1CC1
InChIInChI=1S/C21H21N7O/c1-10(11-2-3-11)27-20-17-14-5-4-12(13-7-25-21(23)26-8-13)6-16(14)28-18(17)15(9-24-20)19(22)29/h4-11,28H,2-3H2,1H3,(H2,22,29)(H,24,27)(H2,23,25,26)
InChIKeyYWKPZFLIOQKSKO-UHFFFAOYSA-N
XLogP3.06
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide with MolForge

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Related Compounds

1-(1-cyclopropylethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42636017
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-5-yl)-8-bromo-1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42636081
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-(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-(5-aminopyrazin-2-yl)-1-(dicyclopropylmethylamino)-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide
CID 123625321
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-[(3-hydroxy-3-methylbutan-2-yl)amino]-7-(2-pyridin-3-ylethynyl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 59543163
1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582128
8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582762
8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582702

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 42635904) is 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is CC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnc(N)nc4)ccc3c12)C1CC1.
What is the InChIKey of 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is YWKPZFLIOQKSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-10(11-2-3-11)27-20-17-14-5-4-12(13-7-25-21(23)26-8-13)6-16(14)28-18(17)15(9-24-20)19(22)29/h4-11,28H,2-3H2,1H3,(H2,22,29)(H,24,27)(H2,23,25,26).
What are the key properties of 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopyrimidin-5-yl)-1-(1-cyclopropylethylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 42635904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).