2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide

C23H20ClN5O4 — CID 90683775

IUPAC2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1
InChIInChI=1S/C23H20ClN5O4/c24-16-3-1-14(2-4-16)5-21(32)28-17-6-15(7-25-8-17)22(33)20-10-29(18(11-30)12-31)23-19(20)9-26-13-27-23/h1-4,6-10,13,18,30-31H,5,11-12H2,(H,28,32)
InChIKeyRVSTWVTWAWJSJQ-UHFFFAOYSA-N
MW465.90 g/mol
LogP2.42
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (PubChem CID 90683775) has the molecular formula C23H20ClN5O4 and a molecular weight of 465.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
PubChem CID90683775
Molecular FormulaC23H20ClN5O4
Molecular Weight465.90 g/mol
Exact Mass465.12
IUPAC Name2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1
InChIInChI=1S/C23H20ClN5O4/c24-16-3-1-14(2-4-16)5-21(32)28-17-6-15(7-25-8-17)22(33)20-10-29(18(11-30)12-31)23-19(20)9-26-13-27-23/h1-4,6-10,13,18,30-31H,5,11-12H2,(H,28,32)
InChIKeyRVSTWVTWAWJSJQ-UHFFFAOYSA-N
XLogP2.42
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (CID 90683775) is 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2cn(C(CO)CO)c3ncncc23)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The InChIKey is RVSTWVTWAWJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4/c24-16-3-1-14(2-4-16)5-21(32)28-17-6-15(7-25-8-17)22(33)20-10-29(18(11-30)12-31)23-19(20)9-26-13-27-23/h1-4,6-10,13,18,30-31H,5,11-12H2,(H,28,32).
What are the key properties of 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 465.90 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-[7-(1,3-dihydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 90683775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).