[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone

C15H16ClN3O — CID 138748332

IUPAC[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone
SMILESO=C(C1CC1)C1CCC(n2ccc3c(Cl)ncnc32)C1
InChIInChI=1S/C15H16ClN3O/c16-14-12-5-6-19(15(12)18-8-17-14)11-4-3-10(7-11)13(20)9-1-2-9/h5-6,8-11H,1-4,7H2
InChIKeyNZHRJDDSTJEZAT-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.40
Rot. Bonds3

About [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone

[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone (PubChem CID 138748332) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone
PubChem CID138748332
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone
SMILESO=C(C1CC1)C1CCC(n2ccc3c(Cl)ncnc32)C1
InChIInChI=1S/C15H16ClN3O/c16-14-12-5-6-19(15(12)18-8-17-14)11-4-3-10(7-11)13(20)9-1-2-9/h5-6,8-11H,1-4,7H2
InChIKeyNZHRJDDSTJEZAT-UHFFFAOYSA-N
XLogP3.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone?
The IUPAC name of [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone (CID 138748332) is [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone.
What is the SMILES notation for [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone?
The canonical SMILES for [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone is O=C(C1CC1)C1CCC(n2ccc3c(Cl)ncnc32)C1.
What is the InChIKey of [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone?
The InChIKey is NZHRJDDSTJEZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-12-5-6-19(15(12)18-8-17-14)11-4-3-10(7-11)13(20)9-1-2-9/h5-6,8-11H,1-4,7H2.
What are the key properties of [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone?
[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone has a molecular weight of 289.77 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-cyclopropylmethanone is sourced from PubChem (CID 138748332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).