2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C19H18FN5O — CID 118969741

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(-c2ccn(Cc3ccccc3F)n2)nc2c1C(C)(C)C(=O)N2
InChIInChI=1S/C19H18FN5O/c1-11-15-17(23-18(26)19(15,2)3)22-16(21-11)14-8-9-25(24-14)10-12-6-4-5-7-13(12)20/h4-9H,10H2,1-3H3,(H,21,22,23,26)
InChIKeyMTVNXCBXNRDBCA-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.07
Rot. Bonds3

About 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 118969741) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID118969741
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(-c2ccn(Cc3ccccc3F)n2)nc2c1C(C)(C)C(=O)N2
InChIInChI=1S/C19H18FN5O/c1-11-15-17(23-18(26)19(15,2)3)22-16(21-11)14-8-9-25(24-14)10-12-6-4-5-7-13(12)20/h4-9H,10H2,1-3H3,(H,21,22,23,26)
InChIKeyMTVNXCBXNRDBCA-UHFFFAOYSA-N
XLogP3.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118969741) is 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc(-c2ccn(Cc3ccccc3F)n2)nc2c1C(C)(C)C(=O)N2.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is MTVNXCBXNRDBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-11-15-17(23-18(26)19(15,2)3)22-16(21-11)14-8-9-25(24-14)10-12-6-4-5-7-13(12)20/h4-9H,10H2,1-3H3,(H,21,22,23,26).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 351.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 118969741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).