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

C23H43FN8O2 — CID 140643767

IUPAC2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(OC2CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)CC1
InChIInChI=1S/C23H43FN8O2/c1-30-8-3-16(4-9-30)34-17-5-10-31(11-6-17)19-2-7-26-13-18(19)28-23(33)20-21(25)29-32-14-15(24)12-27-22(20)32/h15-22,26-27,29H,2-14,25H2,1H3,(H,28,33)
InChIKeyVUZZESDUSSMEOE-UHFFFAOYSA-N
MW482.65 g/mol
LogP-1.60
Rot. Bonds5

About 2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643767) has the molecular formula C23H43FN8O2 and a molecular weight of 482.65 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643767
Molecular FormulaC23H43FN8O2
Molecular Weight482.65 g/mol
Exact Mass482.35
IUPAC Name2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(OC2CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)CC1
InChIInChI=1S/C23H43FN8O2/c1-30-8-3-16(4-9-30)34-17-5-10-31(11-6-17)19-2-7-26-13-18(19)28-23(33)20-21(25)29-32-14-15(24)12-27-22(20)32/h15-22,26-27,29H,2-14,25H2,1H3,(H,28,33)
InChIKeyVUZZESDUSSMEOE-UHFFFAOYSA-N
XLogP-1.60
TPSA110.16 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-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-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643767) is 2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(OC2CCN(C3CCNCC3NC(=O)C3C(N)NN4CC(F)CNC34)CC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VUZZESDUSSMEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43FN8O2/c1-30-8-3-16(4-9-30)34-17-5-10-31(11-6-17)19-2-7-26-13-18(19)28-23(33)20-21(25)29-32-14-15(24)12-27-22(20)32/h15-22,26-27,29H,2-14,25H2,1H3,(H,28,33).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-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-(1-methylpiperidin-4-yl)oxypiperidin-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 482.65 g/mol, XLogP of -1.60, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(1-methylpiperidin-4-yl)oxypiperidin-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 140643767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).