1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]

C15H15ClN4 — CID 167100384

IUPAC1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
SMILESCc1ccc2c(n1)C1(CCC1)CN2c1ccnc(Cl)n1
InChIInChI=1S/C15H15ClN4/c1-10-3-4-11-13(18-10)15(6-2-7-15)9-20(11)12-5-8-17-14(16)19-12/h3-5,8H,2,6-7,9H2,1H3
InChIKeyLCVOQUZDSRIICG-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.41
Rot. Bonds1

About 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]

1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] (PubChem CID 167100384) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane].

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
PubChem CID167100384
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
SMILESCc1ccc2c(n1)C1(CCC1)CN2c1ccnc(Cl)n1
InChIInChI=1S/C15H15ClN4/c1-10-3-4-11-13(18-10)15(6-2-7-15)9-20(11)12-5-8-17-14(16)19-12/h3-5,8H,2,6-7,9H2,1H3
InChIKeyLCVOQUZDSRIICG-UHFFFAOYSA-N
XLogP3.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] with MolForge

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Related Compounds

1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
CID 167100571
1-(6-chloropyrimidin-4-yl)-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine
CID 163387188
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-5-N-[4-(5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]-1-yl)pyrimidin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2,3,5-triamine
CID 169323027
1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one
CID 130469670
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
4-[3,3-dimethyl-5-(4-methylimidazol-1-yl)-2H-pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-amine
CID 163387196
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
1-(2-chloropyrimidin-4-yl)-3-propan-2-yl-2H-benzimidazol-5-ol
CID 175705490
3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one
CID 132608317
1-(2-chloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 62343451
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] (CID 167100384) is 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane].
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] is Cc1ccc2c(n1)C1(CCC1)CN2c1ccnc(Cl)n1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]?
The InChIKey is LCVOQUZDSRIICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-3-4-11-13(18-10)15(6-2-7-15)9-20(11)12-5-8-17-14(16)19-12/h3-5,8H,2,6-7,9H2,1H3.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]?
1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] has a molecular weight of 286.77 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane] is sourced from PubChem (CID 167100384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).