7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20N8O3 — CID 137441432

IUPAC7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1cc(Nc2cccc(N3CCCC3=O)n2)nc2c(C(=O)NC3COC3)cnn12
InChIInChI=1S/C19H20N8O3/c20-13-7-15(23-14-3-1-4-16(24-14)26-6-2-5-17(26)28)25-18-12(8-21-27(13)18)19(29)22-11-9-30-10-11/h1,3-4,7-8,11H,2,5-6,9-10,20H2,(H,22,29)(H,23,24,25)
InChIKeyYONUONUICKGKHF-UHFFFAOYSA-N
MW408.42 g/mol
LogP0.71
Rot. Bonds5

About 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441432) has the molecular formula C19H20N8O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441432
Molecular FormulaC19H20N8O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1cc(Nc2cccc(N3CCCC3=O)n2)nc2c(C(=O)NC3COC3)cnn12
InChIInChI=1S/C19H20N8O3/c20-13-7-15(23-14-3-1-4-16(24-14)26-6-2-5-17(26)28)25-18-12(8-21-27(13)18)19(29)22-11-9-30-10-11/h1,3-4,7-8,11H,2,5-6,9-10,20H2,(H,22,29)(H,23,24,25)
InChIKeyYONUONUICKGKHF-UHFFFAOYSA-N
XLogP0.71
TPSA139.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441432) is 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1cc(Nc2cccc(N3CCCC3=O)n2)nc2c(C(=O)NC3COC3)cnn12.
What is the InChIKey of 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YONUONUICKGKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3/c20-13-7-15(23-14-3-1-4-16(24-14)26-6-2-5-17(26)28)25-18-12(8-21-27(13)18)19(29)22-11-9-30-10-11/h1,3-4,7-8,11H,2,5-6,9-10,20H2,(H,22,29)(H,23,24,25).
What are the key properties of 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(oxetan-3-yl)-5-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).