3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide

C24H20N6O3 — CID 90683897

IUPAC3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide
SMILESCc1coc2cnc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12
InChIInChI=1S/C24H20N6O3/c1-13(2)30-10-19(18-8-26-12-28-23(18)30)22(31)15-4-16(7-25-6-15)29-24(32)20-5-17-14(3)11-33-21(17)9-27-20/h4-13H,1-3H3,(H,29,32)
InChIKeyQOWIQPMLNNUKJB-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.34
Rot. Bonds5

About 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide

3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide (PubChem CID 90683897) has the molecular formula C24H20N6O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide
PubChem CID90683897
Molecular FormulaC24H20N6O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide
SMILESCc1coc2cnc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12
InChIInChI=1S/C24H20N6O3/c1-13(2)30-10-19(18-8-26-12-28-23(18)30)22(31)15-4-16(7-25-6-15)29-24(32)20-5-17-14(3)11-33-21(17)9-27-20/h4-13H,1-3H3,(H,29,32)
InChIKeyQOWIQPMLNNUKJB-UHFFFAOYSA-N
XLogP4.34
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide (CID 90683897) is 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide is Cc1coc2cnc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12.
What is the InChIKey of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide?
The InChIKey is QOWIQPMLNNUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3/c1-13(2)30-10-19(18-8-26-12-28-23(18)30)22(31)15-4-16(7-25-6-15)29-24(32)20-5-17-14(3)11-33-21(17)9-27-20/h4-13H,1-3H3,(H,29,32).
What are the key properties of 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide?
3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 90683897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).