2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H37FN10O2 — CID 134577874

IUPAC2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1NONC1N1CCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1
InChIInChI=1S/C19H37FN10O2/c1-11-17(27-32-26-11)29-6-4-28(5-7-29)14-2-3-22-9-13(14)24-19(31)15-16(21)25-30-10-12(20)8-23-18(15)30/h11-18,22-23,25-27H,2-10,21H2,1H3,(H,24,31)
InChIKeyANQYNBWOYPANQX-UHFFFAOYSA-N
MW456.57 g/mol
LogP-3.81
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134577874) has the molecular formula C19H37FN10O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134577874
Molecular FormulaC19H37FN10O2
Molecular Weight456.57 g/mol
Exact Mass456.31
IUPAC Name2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1NONC1N1CCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1
InChIInChI=1S/C19H37FN10O2/c1-11-17(27-32-26-11)29-6-4-28(5-7-29)14-2-3-22-9-13(14)24-19(31)15-16(21)25-30-10-12(20)8-23-18(15)30/h11-18,22-23,25-27H,2-10,21H2,1H3,(H,24,31)
InChIKeyANQYNBWOYPANQX-UHFFFAOYSA-N
XLogP-3.81
TPSA134.22 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500456.57
LogP ≤ 5-3.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134577874) is 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1NONC1N1CCN(C2CCNCC2NC(=O)C2C(N)NN3CC(F)CNC23)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ANQYNBWOYPANQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN10O2/c1-11-17(27-32-26-11)29-6-4-28(5-7-29)14-2-3-22-9-13(14)24-19(31)15-16(21)25-30-10-12(20)8-23-18(15)30/h11-18,22-23,25-27H,2-10,21H2,1H3,(H,24,31).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of -3.81, 4 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(4-methyl-1,2,5-oxadiazolidin-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134577874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).