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

C20H30F2N8O2 — CID 130280148

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)Nc1cncc(F)c1N1CCN(C2CCOC2)CC1
InChIInChI=1S/C20H30F2N8O2/c21-12-7-25-19-16(18(23)27-30(19)10-12)20(31)26-15-9-24-8-14(22)17(15)29-4-2-28(3-5-29)13-1-6-32-11-13/h8-9,12-13,16,18-19,25,27H,1-7,10-11,23H2,(H,26,31)
InChIKeyBEAZVZQJSKBEJC-UHFFFAOYSA-N
MW452.51 g/mol
LogP-0.94
Rot. Bonds4

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

2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 130280148) has the molecular formula C20H30F2N8O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID130280148
Molecular FormulaC20H30F2N8O2
Molecular Weight452.51 g/mol
Exact Mass452.25
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)Nc1cncc(F)c1N1CCN(C2CCOC2)CC1
InChIInChI=1S/C20H30F2N8O2/c21-12-7-25-19-16(18(23)27-30(19)10-12)20(31)26-15-9-24-8-14(22)17(15)29-4-2-28(3-5-29)13-1-6-32-11-13/h8-9,12-13,16,18-19,25,27H,1-7,10-11,23H2,(H,26,31)
InChIKeyBEAZVZQJSKBEJC-UHFFFAOYSA-N
XLogP-0.94
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 130280148) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-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-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)Nc1cncc(F)c1N1CCN(C2CCOC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BEAZVZQJSKBEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N8O2/c21-12-7-25-19-16(18(23)27-30(19)10-12)20(31)26-15-9-24-8-14(22)17(15)29-4-2-28(3-5-29)13-1-6-32-11-13/h8-9,12-13,16,18-19,25,27H,1-7,10-11,23H2,(H,26,31).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 130280148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).