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

C22H18N8O2 — CID 90683886

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ncccn4n3)c2)c2cncnc21
InChIInChI=1S/C22H18N8O2/c1-13(2)29-11-17(16-10-24-12-26-21(16)29)20(31)14-6-15(9-23-8-14)27-22(32)18-7-19-25-4-3-5-30(19)28-18/h3-13H,1-2H3,(H,27,32)
InChIKeyPVWRGGNXSUPOPZ-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.93
Rot. Bonds5

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

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 90683886) has the molecular formula C22H18N8O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID90683886
Molecular FormulaC22H18N8O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ncccn4n3)c2)c2cncnc21
InChIInChI=1S/C22H18N8O2/c1-13(2)29-11-17(16-10-24-12-26-21(16)29)20(31)14-6-15(9-23-8-14)27-22(32)18-7-19-25-4-3-5-30(19)28-18/h3-13H,1-2H3,(H,27,32)
InChIKeyPVWRGGNXSUPOPZ-UHFFFAOYSA-N
XLogP2.93
TPSA119.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.93
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]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 90683886) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-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]pyrimidine-2-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4ncccn4n3)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]pyrimidine-2-carboxamide?
The InChIKey is PVWRGGNXSUPOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2/c1-13(2)29-11-17(16-10-24-12-26-21(16)29)20(31)14-6-15(9-23-8-14)27-22(32)18-7-19-25-4-3-5-30(19)28-18/h3-13H,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]pyrimidine-2-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 2.93, 5 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]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 90683886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).