1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

C15H14FN5 — CID 110433726

IUPAC1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESFc1ccccc1-n1ncc2c(N3CCCC3)ncnc21
InChIInChI=1S/C15H14FN5/c16-12-5-1-2-6-13(12)21-15-11(9-19-21)14(17-10-18-15)20-7-3-4-8-20/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyZJHSUKVBRAQUJS-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.55
Rot. Bonds2

About 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine

1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 110433726) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
PubChem CID110433726
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
SMILESFc1ccccc1-n1ncc2c(N3CCCC3)ncnc21
InChIInChI=1S/C15H14FN5/c16-12-5-1-2-6-13(12)21-15-11(9-19-21)14(17-10-18-15)20-7-3-4-8-20/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyZJHSUKVBRAQUJS-UHFFFAOYSA-N
XLogP2.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 17017469
2-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole
CID 138023073
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 1280386
4-(azepan-1-yl)-1-(3-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 110433696
1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123351984
1-[1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 166257268
2-(4-piperazin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)benzoic acid
CID 84818534
1-[1-(2-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 167758822
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
1-(2,5-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 17017324
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine (CID 110433726) is 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is Fc1ccccc1-n1ncc2c(N3CCCC3)ncnc21.
What is the InChIKey of 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZJHSUKVBRAQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-12-5-1-2-6-13(12)21-15-11(9-19-21)14(17-10-18-15)20-7-3-4-8-20/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine?
1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 283.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 110433726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).