7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18N10O3 — CID 137449116

IUPAC7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(-n2cccc(Nc3cc(N)n4ncc(C(N)=O)c4n3)c2=O)cn1
InChIInChI=1S/C19H18N10O3/c1-27(2)18(31)12-8-23-15(9-22-12)28-5-3-4-11(19(28)32)25-14-6-13(20)29-17(26-14)10(7-24-29)16(21)30/h3-9H,20H2,1-2H3,(H2,21,30)(H,25,26)
InChIKeyCPFAJNKZHRFTIM-UHFFFAOYSA-N
MW434.42 g/mol
LogP-0.20
Rot. Bonds5

About 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449116) has the molecular formula C19H18N10O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449116
Molecular FormulaC19H18N10O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC Name7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(-n2cccc(Nc3cc(N)n4ncc(C(N)=O)c4n3)c2=O)cn1
InChIInChI=1S/C19H18N10O3/c1-27(2)18(31)12-8-23-15(9-22-12)28-5-3-4-11(19(28)32)25-14-6-13(20)29-17(26-14)10(7-24-29)16(21)30/h3-9H,20H2,1-2H3,(H2,21,30)(H,25,26)
InChIKeyCPFAJNKZHRFTIM-UHFFFAOYSA-N
XLogP-0.20
TPSA179.42 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449116) is 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnc(-n2cccc(Nc3cc(N)n4ncc(C(N)=O)c4n3)c2=O)cn1.
What is the InChIKey of 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CPFAJNKZHRFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N10O3/c1-27(2)18(31)12-8-23-15(9-22-12)28-5-3-4-11(19(28)32)25-14-6-13(20)29-17(26-14)10(7-24-29)16(21)30/h3-9H,20H2,1-2H3,(H2,21,30)(H,25,26).
What are the key properties of 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.42 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).