3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine

C15H15N3 — CID 159002888

IUPAC3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine
SMILESCC(C)c1ncncc1-c1cnc2c(c1)C=CC2
InChIInChI=1S/C15H15N3/c1-10(2)15-13(8-16-9-18-15)12-6-11-4-3-5-14(11)17-7-12/h3-4,6-10H,5H2,1-2H3
InChIKeyOESHACUTCBIQIQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.23
Rot. Bonds2

About 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine

3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine (PubChem CID 159002888) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine
PubChem CID159002888
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine
SMILESCC(C)c1ncncc1-c1cnc2c(c1)C=CC2
InChIInChI=1S/C15H15N3/c1-10(2)15-13(8-16-9-18-15)12-6-11-4-3-5-14(11)17-7-12/h3-4,6-10H,5H2,1-2H3
InChIKeyOESHACUTCBIQIQ-UHFFFAOYSA-N
XLogP3.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-ylidene-8H-quinazoline
CID 58808804
5-butan-2-yl-4-propan-2-ylpyrimidine
CID 126657195
(4-propan-2-ylpyrimidin-5-yl)methanol
CID 130163917
4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 118053651
N-(2-cyanopropan-2-yl)-3-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
CID 138636753
5,5,18,18-tetramethyl-14,27-di(propan-2-yl)-8,10,21,23-tetrazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4(30),6,8,10,13,15,17(29),19,21,23,25,27-tetradecaene
CID 90336860
7H-cyclopenta[b]pyridine;ethane
CID 91481517
3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one
CID 121275641
N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;(2S,4R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide
CID 160797341
2-bromo-N-tert-butyl-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 129078641
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-7H-cyclopenta[b]pyridine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
CID 159502082
3-(4-chlorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)-N-(1,1,3-trifluoro-2-methylpropan-2-yl)benzamide
CID 126572748

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine (CID 159002888) is 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine is CC(C)c1ncncc1-c1cnc2c(c1)C=CC2.
What is the InChIKey of 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is OESHACUTCBIQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10(2)15-13(8-16-9-18-15)12-6-11-4-3-5-14(11)17-7-12/h3-4,6-10H,5H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine?
3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 237.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159002888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).