N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

C63H61BrCl3N21O9 — CID 159146874

IUPACN-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(c2cccnc2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(NC3CC(NC(=O)C4CC4)NCN3)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.Nc1cc(NC(=O)C2CC2)ncn1
InChIInChI=1S/C21H24ClN7O3.C21H18ClN7O3.C13H9BrClN3O2.C8H10N4O/c2*1-21(12-3-2-6-23-9-12)28-19(31)17-13(22)7-14(20(32)29(17)21)26-15-8-16(25-10-24-15)27-18(30)11-4-5-11;1-13(7-3-2-4-16-6-7)17-11(19)10-9(15)5-8(14)12(20)18(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h2-3,6-7,9,11,15-16,24-26H,4-5,8,10H2,1H3,(H,27,30)(H,28,31);2-3,6-11H,4-5H2,1H3,(H,28,31)(H2,24,25,26,27,30);2-6H,1H3,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13)
InChIKeyKIUFFBHSRSBDJW-UHFFFAOYSA-N
MW1442.58 g/mol
LogP5.27
Rot. Bonds13

About N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 159146874) has the molecular formula C63H61BrCl3N21O9 and a molecular weight of 1442.58 g/mol. Its IUPAC name is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID159146874
Molecular FormulaC63H61BrCl3N21O9
Molecular Weight1442.58 g/mol
Exact Mass1439.32
IUPAC NameN-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(c2cccnc2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(NC3CC(NC(=O)C4CC4)NCN3)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.Nc1cc(NC(=O)C2CC2)ncn1
InChIInChI=1S/C21H24ClN7O3.C21H18ClN7O3.C13H9BrClN3O2.C8H10N4O/c2*1-21(12-3-2-6-23-9-12)28-19(31)17-13(22)7-14(20(32)29(17)21)26-15-8-16(25-10-24-15)27-18(30)11-4-5-11;1-13(7-3-2-4-16-6-7)17-11(19)10-9(15)5-8(14)12(20)18(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h2-3,6-7,9,11,15-16,24-26H,4-5,8,10H2,1H3,(H,27,30)(H,28,31);2-3,6-11H,4-5H2,1H3,(H,28,31)(H2,24,25,26,27,30);2-6H,1H3,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13)
InChIKeyKIUFFBHSRSBDJW-UHFFFAOYSA-N
XLogP5.27
TPSA404.97 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001442.58
LogP ≤ 55.27
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 159146874) is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(NC3CC(NC(=O)C4CC4)NCN3)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21.Nc1cc(NC(=O)C2CC2)ncn1.
What is the InChIKey of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is KIUFFBHSRSBDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O3.C21H18ClN7O3.C13H9BrClN3O2.C8H10N4O/c2*1-21(12-3-2-6-23-9-12)28-19(31)17-13(22)7-14(20(32)29(17)21)26-15-8-16(25-10-24-15)27-18(30)11-4-5-11;1-13(7-3-2-4-16-6-7)17-11(19)10-9(15)5-8(14)12(20)18(10)13;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5/h2-3,6-7,9,11,15-16,24-26H,4-5,8,10H2,1H3,(H,27,30)(H,28,31);2-3,6-11H,4-5H2,1H3,(H,28,31)(H2,24,25,26,27,30);2-6H,1H3,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13).
What are the key properties of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 1442.58 g/mol, XLogP of 5.27, 13 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]-1,3-diazinan-4-yl]cyclopropanecarboxamide;N-[6-[(8-chloro-3-methyl-1,5-dioxo-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159146874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).