7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

C24H23ClFN5O — CID 70693674

IUPAC7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESFc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21
InChIInChI=1S/C24H23ClFN5O/c25-21-6-3-4-17(22(21)26)14-31-13-9-20-23(31)28-16-29-24(20)32-19-7-11-30(12-8-19)15-18-5-1-2-10-27-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2
InChIKeyORHZOFKXBXVQCM-UHFFFAOYSA-N
MW451.93 g/mol
LogP4.71
Rot. Bonds6

About 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70693674) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID70693674
Molecular FormulaC24H23ClFN5O
Molecular Weight451.93 g/mol
Exact Mass451.16
IUPAC Name7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESFc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21
InChIInChI=1S/C24H23ClFN5O/c25-21-6-3-4-17(22(21)26)14-31-13-9-20-23(31)28-16-29-24(20)32-19-7-11-30(12-8-19)15-18-5-1-2-10-27-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2
InChIKeyORHZOFKXBXVQCM-UHFFFAOYSA-N
XLogP4.71
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 70693674) is 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is Fc1c(Cl)cccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21.
What is the InChIKey of 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is ORHZOFKXBXVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O/c25-21-6-3-4-17(22(21)26)14-31-13-9-20-23(31)28-16-29-24(20)32-19-7-11-30(12-8-19)15-18-5-1-2-10-27-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2.
What are the key properties of 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine has a molecular weight of 451.93 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70693674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).