(2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol

C18H18FN3O2 — CID 145183403

IUPAC(2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESCc1ncnc2c1ccn2C1CCC(C(O)c2ccccc2F)O1
InChIInChI=1S/C18H18FN3O2/c1-11-12-8-9-22(18(12)21-10-20-11)16-7-6-15(24-16)17(23)13-4-2-3-5-14(13)19/h2-5,8-10,15-17,23H,6-7H2,1H3
InChIKeyYJMQSCYNGSCTOR-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.29
Rot. Bonds3

About (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol

(2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol (PubChem CID 145183403) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name(2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
PubChem CID145183403
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESCc1ncnc2c1ccn2C1CCC(C(O)c2ccccc2F)O1
InChIInChI=1S/C18H18FN3O2/c1-11-12-8-9-22(18(12)21-10-20-11)16-7-6-15(24-16)17(23)13-4-2-3-5-14(13)19/h2-5,8-10,15-17,23H,6-7H2,1H3
InChIKeyYJMQSCYNGSCTOR-UHFFFAOYSA-N
XLogP3.29
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The IUPAC name of (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol (CID 145183403) is (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol.
What is the SMILES notation for (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The canonical SMILES for (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol is Cc1ncnc2c1ccn2C1CCC(C(O)c2ccccc2F)O1.
What is the InChIKey of (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The InChIKey is YJMQSCYNGSCTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11-12-8-9-22(18(12)21-10-20-11)16-7-6-15(24-16)17(23)13-4-2-3-5-14(13)19/h2-5,8-10,15-17,23H,6-7H2,1H3.
What are the key properties of (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
(2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol has a molecular weight of 327.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 145183403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).