7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H17N9O2 — CID 137449115

IUPAC7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccnc(C)n3)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C18H17N9O2/c1-10-21-6-5-14(23-10)26-7-3-4-12(18(26)29)24-13-8-15(20-2)27-17(25-13)11(9-22-27)16(19)28/h3-9,20H,1-2H3,(H2,19,28)(H,24,25)
InChIKeySSYPNOQAMXGCSC-UHFFFAOYSA-N
MW391.40 g/mol
LogP0.86
Rot. Bonds5

About 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449115) has the molecular formula C18H17N9O2 and a molecular weight of 391.40 g/mol. Its IUPAC name is 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449115
Molecular FormulaC18H17N9O2
Molecular Weight391.40 g/mol
Exact Mass391.15
IUPAC Name7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccnc(C)n3)c2=O)nc2c(C(N)=O)cnn12
InChIInChI=1S/C18H17N9O2/c1-10-21-6-5-14(23-10)26-7-3-4-12(18(26)29)24-13-8-15(20-2)27-17(25-13)11(9-22-27)16(19)28/h3-9,20H,1-2H3,(H2,19,28)(H,24,25)
InChIKeySSYPNOQAMXGCSC-UHFFFAOYSA-N
XLogP0.86
TPSA145.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449115) is 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccnc(C)n3)c2=O)nc2c(C(N)=O)cnn12.
What is the InChIKey of 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SSYPNOQAMXGCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9O2/c1-10-21-6-5-14(23-10)26-7-3-4-12(18(26)29)24-13-8-15(20-2)27-17(25-13)11(9-22-27)16(19)28/h3-9,20H,1-2H3,(H2,19,28)(H,24,25).
What are the key properties of 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-5-[[1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).