N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

C18H17Cl2N5O2 — CID 129071662

IUPACN-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc(NC(=O)C4CC4)c3Cl)cc21
InChIInChI=1S/C18H17Cl2N5O2/c1-18(2)10-5-9(6-11(19)12(10)17(27)25-18)23-14-13(20)15(22-7-21-14)24-16(26)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,25,27)(H2,21,22,23,24,26)
InChIKeySYYZGHRWYHBVEI-UHFFFAOYSA-N
MW406.27 g/mol
LogP3.85
Rot. Bonds4

About N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 129071662) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID129071662
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC NameN-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESCC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc(NC(=O)C4CC4)c3Cl)cc21
InChIInChI=1S/C18H17Cl2N5O2/c1-18(2)10-5-9(6-11(19)12(10)17(27)25-18)23-14-13(20)15(22-7-21-14)24-16(26)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,25,27)(H2,21,22,23,24,26)
InChIKeySYYZGHRWYHBVEI-UHFFFAOYSA-N
XLogP3.85
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-chloro-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129071754
N-[5-chloro-6-[(4-methyl-5-oxospiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129071436
N-[5-methyl-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129071779
N-[6-[(8-chloro-3-cyclopentyl-3-methyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118599096
N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide
CID 142787332
N-[6-[(3-methyl-1,5-dioxo-3-propan-2-yl-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598957
bis(6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione);N-[6-[(8-chloro-3,3-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 157481702
tert-butyl 6'-[[6-(cyclopropanecarbonylamino)-5-methylpyrimidin-4-yl]amino]-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate
CID 129071419
N-[5-methoxy-6-[(4-methyl-5-oxospiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129071337
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598735
N-[8-(2-chloro-6-fluorophenyl)-7H-purin-6-yl]cyclopropanecarboxamide
CID 67383579

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 129071662) is N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc(NC(=O)C4CC4)c3Cl)cc21.
What is the InChIKey of N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is SYYZGHRWYHBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c1-18(2)10-5-9(6-11(19)12(10)17(27)25-18)23-14-13(20)15(22-7-21-14)24-16(26)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,25,27)(H2,21,22,23,24,26).
What are the key properties of N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 406.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-[(7-chloro-3,3-dimethyl-1-oxo-2H-isoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 129071662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).