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

C20H37FN8O2 — CID 140644198

IUPAC2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H]1CN(C2COC2)CCN1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C20H37FN8O2/c1-12-8-27(14-10-31-11-14)4-5-28(12)16-2-3-23-7-15(16)25-20(30)17-18(22)26-29-9-13(21)6-24-19(17)29/h12-19,23-24,26H,2-11,22H2,1H3,(H,25,30)/t12-,13?,15?,16?,17?,18?,19?/m1/s1
InChIKeyAFFULTCUFQXFQC-YOWGKPKWSA-N
MW440.57 g/mol
LogP-2.77
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-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-[(2R)-2-methyl-4-(oxetan-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 140644198) has the molecular formula C20H37FN8O2 and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-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-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140644198
Molecular FormulaC20H37FN8O2
Molecular Weight440.57 g/mol
Exact Mass440.30
IUPAC Name2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H]1CN(C2COC2)CCN1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12
InChIInChI=1S/C20H37FN8O2/c1-12-8-27(14-10-31-11-14)4-5-28(12)16-2-3-23-7-15(16)25-20(30)17-18(22)26-29-9-13(21)6-24-19(17)29/h12-19,23-24,26H,2-11,22H2,1H3,(H,25,30)/t12-,13?,15?,16?,17?,18?,19?/m1/s1
InChIKeyAFFULTCUFQXFQC-YOWGKPKWSA-N
XLogP-2.77
TPSA110.16 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 5-2.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-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

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Related Compounds

3,3-diamino-2-(1,3-diethyl-5-fluoro-1-methyl-1,3-diazinan-1-ium-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 123405907
2-amino-6-fluoro-4-methyl-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-2,3,3a,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133110
2-amino-N-(4-ethoxypiperidin-3-yl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129133725
2-amino-6-fluoro-N-(4-methoxypiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129134618
2-amino-N-[4-[6-[(dimethylamino)methyl]-1-methylpiperidin-3-yl]oxypiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134339736
2-amino-N-[4-[4-(azetidine-3-carbonyl)piperazin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577738
2-amino-6-fluoro-N-[4-[4-(5-methyl-1,3,4-oxadiazolidin-2-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577847
2-amino-6-fluoro-N-[1-methyl-4-(5-methyl-1,3-diazinan-4-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577866
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
2-amino-6-fluoro-N-[1-methyl-4-(3-methylpiperazin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577891
2-amino-6-fluoro-N-[4-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577892
2-amino-6-fluoro-N-[5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643717

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-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-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140644198) is 2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-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-[(2R)-2-methyl-4-(oxetan-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-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H]1CN(C2COC2)CCN1C1CCNCC1NC(=O)C1C(N)NN2CC(F)CNC12.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-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 AFFULTCUFQXFQC-YOWGKPKWSA-N. The full InChI is InChI=1S/C20H37FN8O2/c1-12-8-27(14-10-31-11-14)4-5-28(12)16-2-3-23-7-15(16)25-20(30)17-18(22)26-29-9-13(21)6-24-19(17)29/h12-19,23-24,26H,2-11,22H2,1H3,(H,25,30)/t12-,13?,15?,16?,17?,18?,19?/m1/s1.
What are the key properties of 2-amino-6-fluoro-N-[4-[(2R)-2-methyl-4-(oxetan-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-[(2R)-2-methyl-4-(oxetan-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 440.57 g/mol, XLogP of -2.77, 4 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-[(2R)-2-methyl-4-(oxetan-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 140644198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).