N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide

C23H18N6O2S — CID 90683863

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4sccc4cn3)c2)c2cncnc21
InChIInChI=1S/C23H18N6O2S/c1-13(2)29-11-18(17-10-25-12-27-22(17)29)21(30)15-5-16(9-24-7-15)28-23(31)19-6-20-14(8-26-19)3-4-32-20/h3-13H,1-2H3,(H,28,31)
InChIKeyKXIHAZFHNMJWQJ-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.50
Rot. Bonds5

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 90683863) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide
PubChem CID90683863
Molecular FormulaC23H18N6O2S
Molecular Weight442.50 g/mol
Exact Mass442.12
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4sccc4cn3)c2)c2cncnc21
InChIInChI=1S/C23H18N6O2S/c1-13(2)29-11-18(17-10-25-12-27-22(17)29)21(30)15-5-16(9-24-7-15)28-23(31)19-6-20-14(8-26-19)3-4-32-20/h3-13H,1-2H3,(H,28,31)
InChIKeyKXIHAZFHNMJWQJ-UHFFFAOYSA-N
XLogP4.50
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide (CID 90683863) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4sccc4cn3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is KXIHAZFHNMJWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c1-13(2)29-11-18(17-10-25-12-27-22(17)29)21(30)15-5-16(9-24-7-15)28-23(31)19-6-20-14(8-26-19)3-4-32-20/h3-13H,1-2H3,(H,28,31).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 90683863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).