N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C23H19N7O2 — CID 90683959

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ccccn4n3)c2)c2cncnc21
InChIInChI=1S/C23H19N7O2/c1-14(2)29-12-19(18-11-25-13-26-22(18)29)21(31)15-7-16(10-24-9-15)27-23(32)20-8-17-5-3-4-6-30(17)28-20/h3-14H,1-2H3,(H,27,32)
InChIKeyBVSIAPGZYMPPJL-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.54
Rot. Bonds5

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 90683959) 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]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID90683959
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]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ccccn4n3)c2)c2cncnc21
InChIInChI=1S/C23H19N7O2/c1-14(2)29-12-19(18-11-25-13-26-22(18)29)21(31)15-7-16(10-24-9-15)27-23(32)20-8-17-5-3-4-6-30(17)28-20/h3-14H,1-2H3,(H,27,32)
InChIKeyBVSIAPGZYMPPJL-UHFFFAOYSA-N
XLogP3.54
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.54
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]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 90683959) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ccccn4n3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is BVSIAPGZYMPPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-14(2)29-12-19(18-11-25-13-26-22(18)29)21(31)15-7-16(10-24-9-15)27-23(32)20-8-17-5-3-4-6-30(17)28-20/h3-14H,1-2H3,(H,27,32).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.54, 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]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 90683959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).