2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H24F2N8O3 — CID 134339956

IUPAC2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCC(F)C1N1CCN3C(=O)OC[C@@H]3C1)N=CC(F)C2
InChIInChI=1S/C18H24F2N8O3/c19-9-3-23-16-13(15(21)25-28(16)6-9)17(29)24-12-5-22-4-11(20)14(12)26-1-2-27-10(7-26)8-31-18(27)30/h3,9-12,14,22H,1-2,4-8H2,(H2,21,25)(H,24,29)/t9?,10-,11?,12?,14?/m0/s1
InChIKeyOBBLSDGRSVBXTE-CCVBRQKOSA-N
MW438.44 g/mol
LogP-0.94
Rot. Bonds3

About 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134339956) has the molecular formula C18H24F2N8O3 and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134339956
Molecular FormulaC18H24F2N8O3
Molecular Weight438.44 g/mol
Exact Mass438.19
IUPAC Name2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCC(F)C1N1CCN3C(=O)OC[C@@H]3C1)N=CC(F)C2
InChIInChI=1S/C18H24F2N8O3/c19-9-3-23-16-13(15(21)25-28(16)6-9)17(29)24-12-5-22-4-11(20)14(12)26-1-2-27-10(7-26)8-31-18(27)30/h3,9-12,14,22H,1-2,4-8H2,(H2,21,25)(H,24,29)/t9?,10-,11?,12?,14?/m0/s1
InChIKeyOBBLSDGRSVBXTE-CCVBRQKOSA-N
XLogP-0.94
TPSA130.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134339956) is 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2c(c1C(=O)NC1CNCC(F)C1N1CCN3C(=O)OC[C@@H]3C1)N=CC(F)C2.
What is the InChIKey of 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OBBLSDGRSVBXTE-CCVBRQKOSA-N. The full InChI is InChI=1S/C18H24F2N8O3/c19-9-3-23-16-13(15(21)25-28(16)6-9)17(29)24-12-5-22-4-11(20)14(12)26-1-2-27-10(7-26)8-31-18(27)30/h3,9-12,14,22H,1-2,4-8H2,(H2,21,25)(H,24,29)/t9?,10-,11?,12?,14?/m0/s1.
What are the key properties of 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.44 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(8aS)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-5-fluoropiperidin-3-yl]-6-fluoro-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134339956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).