4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine

C17H13ClFN5 — CID 134536021

IUPAC4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1cn(Cc2cnn(-c3ccccc3F)c2)c2ncnc(Cl)c12
InChIInChI=1S/C17H13ClFN5/c1-11-7-23(17-15(11)16(18)20-10-21-17)8-12-6-22-24(9-12)14-5-3-2-4-13(14)19/h2-7,9-10H,8H2,1H3
InChIKeyOXJBTXSSDGZKNM-UHFFFAOYSA-N
MW341.78 g/mol
LogP3.77
Rot. Bonds3

About 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine

4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 134536021) has the molecular formula C17H13ClFN5 and a molecular weight of 341.78 g/mol. Its IUPAC name is 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine
PubChem CID134536021
Molecular FormulaC17H13ClFN5
Molecular Weight341.78 g/mol
Exact Mass341.08
IUPAC Name4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1cn(Cc2cnn(-c3ccccc3F)c2)c2ncnc(Cl)c12
InChIInChI=1S/C17H13ClFN5/c1-11-7-23(17-15(11)16(18)20-10-21-17)8-12-6-22-24(9-12)14-5-3-2-4-13(14)19/h2-7,9-10H,8H2,1H3
InChIKeyOXJBTXSSDGZKNM-UHFFFAOYSA-N
XLogP3.77
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-7-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine
CID 134535733
7-benzyl-4-chloro-5-fluoropyrrolo[2,3-d]pyrimidine
CID 84819802
5-[2-(difluoromethyl)pyrimidin-5-yl]-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518718
7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine
CID 155755183
N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62717967
4-chloro-7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]-5-iodopyrrolo[2,3-d]pyrimidine
CID 134518737
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
1-[1-(2-chlorophenyl)pyrazol-4-yl]propan-2-amine
CID 83896850
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798
4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
CID 115054107
4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]thiomorpholine
CID 77097579
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine (CID 134536021) is 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine is Cc1cn(Cc2cnn(-c3ccccc3F)c2)c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is OXJBTXSSDGZKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5/c1-11-7-23(17-15(11)16(18)20-10-21-17)8-12-6-22-24(9-12)14-5-3-2-4-13(14)19/h2-7,9-10H,8H2,1H3.
What are the key properties of 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine?
4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 341.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 134536021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).