N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

C23H19N7O2 — CID 90683877

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4cc[nH]c4n3)c2)c2cncnc21
InChIInChI=1S/C23H19N7O2/c1-13(2)30-11-18(17-10-25-12-27-22(17)30)20(31)15-7-16(9-24-8-15)28-23(32)19-4-3-14-5-6-26-21(14)29-19/h3-13H,1-2H3,(H,26,29)(H,28,32)
InChIKeyFBHUBXZBWIDUPI-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.77
Rot. Bonds5

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 90683877) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID90683877
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4cc[nH]c4n3)c2)c2cncnc21
InChIInChI=1S/C23H19N7O2/c1-13(2)30-11-18(17-10-25-12-27-22(17)30)20(31)15-7-16(9-24-8-15)28-23(32)19-4-3-14-5-6-26-21(14)29-19/h3-13H,1-2H3,(H,26,29)(H,28,32)
InChIKeyFBHUBXZBWIDUPI-UHFFFAOYSA-N
XLogP3.77
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (CID 90683877) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4cc[nH]c4n3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is FBHUBXZBWIDUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-13(2)30-11-18(17-10-25-12-27-22(17)30)20(31)15-7-16(9-24-8-15)28-23(32)19-4-3-14-5-6-26-21(14)29-19/h3-13H,1-2H3,(H,26,29)(H,28,32).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 90683877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).