2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C24H21N7O2 — CID 90683605

IUPAC2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4nc[nH]c4c3)c2)c2cncnc21
InChIInChI=1S/C24H21N7O2/c1-14(2)31-11-19(18-10-26-12-29-24(18)31)23(33)16-7-17(9-25-8-16)30-22(32)6-15-3-4-20-21(5-15)28-13-27-20/h3-5,7-14H,6H2,1-2H3,(H,27,28)(H,30,32)
InChIKeyJZWZUMTXRKQPSK-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.70
Rot. Bonds6

About 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683605) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683605
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4nc[nH]c4c3)c2)c2cncnc21
InChIInChI=1S/C24H21N7O2/c1-14(2)31-11-19(18-10-26-12-29-24(18)31)23(33)16-7-17(9-25-8-16)30-22(32)6-15-3-4-20-21(5-15)28-13-27-20/h3-5,7-14H,6H2,1-2H3,(H,27,28)(H,30,32)
InChIKeyJZWZUMTXRKQPSK-UHFFFAOYSA-N
XLogP3.70
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683605) is 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc4nc[nH]c4c3)c2)c2cncnc21.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is JZWZUMTXRKQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-14(2)31-11-19(18-10-26-12-29-24(18)31)23(33)16-7-17(9-25-8-16)30-22(32)6-15-3-4-20-21(5-15)28-13-27-20/h3-5,7-14H,6H2,1-2H3,(H,27,28)(H,30,32).
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 439.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).