N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide

C23H20N8O2 — CID 90683611

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4ncccc43)c2)c2cncnc21
InChIInChI=1S/C23H20N8O2/c1-14(2)30-11-18(17-9-25-13-27-23(17)30)22(33)15-6-16(8-24-7-15)29-21(32)12-31-20-4-3-5-26-19(20)10-28-31/h3-11,13-14H,12H2,1-2H3,(H,29,32)
InChIKeyBOTLNDCECPFLIU-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.02
Rot. Bonds6

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide (PubChem CID 90683611) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide
PubChem CID90683611
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4ncccc43)c2)c2cncnc21
InChIInChI=1S/C23H20N8O2/c1-14(2)30-11-18(17-9-25-13-27-23(17)30)22(33)15-6-16(8-24-7-15)29-21(32)12-31-20-4-3-5-26-19(20)10-28-31/h3-11,13-14H,12H2,1-2H3,(H,29,32)
InChIKeyBOTLNDCECPFLIU-UHFFFAOYSA-N
XLogP3.02
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide (CID 90683611) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4ncccc43)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide?
The InChIKey is BOTLNDCECPFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-14(2)30-11-18(17-9-25-13-27-23(17)30)22(33)15-6-16(8-24-7-15)29-21(32)12-31-20-4-3-5-26-19(20)10-28-31/h3-11,13-14H,12H2,1-2H3,(H,29,32).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide has a molecular weight of 440.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-pyrazolo[4,5-b]pyridin-1-ylacetamide is sourced from PubChem (CID 90683611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).