2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C24H22ClN5O2 — CID 70817765

IUPAC2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(N(C)C(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21
InChIInChI=1S/C24H22ClN5O2/c1-15(2)30-13-21(20-12-27-14-28-24(20)30)23(32)17-9-19(11-26-10-17)29(3)22(31)8-16-4-6-18(25)7-5-16/h4-7,9-15H,8H2,1-3H3
InChIKeyMOCHTIQMFXJNRX-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.50
Rot. Bonds6

About 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 70817765) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID70817765
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(N(C)C(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21
InChIInChI=1S/C24H22ClN5O2/c1-15(2)30-13-21(20-12-27-14-28-24(20)30)23(32)17-9-19(11-26-10-17)29(3)22(31)8-16-4-6-18(25)7-5-16/h4-7,9-15H,8H2,1-3H3
InChIKeyMOCHTIQMFXJNRX-UHFFFAOYSA-N
XLogP4.50
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 70817765) is 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(N(C)C(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is MOCHTIQMFXJNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-15(2)30-13-21(20-12-27-14-28-24(20)30)23(32)17-9-19(11-26-10-17)29(3)22(31)8-16-4-6-18(25)7-5-16/h4-7,9-15H,8H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 447.93 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 70817765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).