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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Related Compounds

CID 131704417
CID 131704417
CID 11415875
CID 11415875
CID 16667105
CID 16667105
CID 70683187
CID 70683187
CID 70683188
CID 70683188
CID 70685265
CID 70685265
CID 70689475
CID 70689475
CID 70691577
CID 70691577
CID 70691584
CID 70691584
CID 70693673
CID 70693673
CID 70695784
CID 70695784
CID 70695785
CID 70695785

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).