2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H31ClN6O3 — CID 140643867

IUPAC2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(Cl)CNC2C1C(=O)NC1CNCCC1OC1CCCOC1
InChIInChI=1S/C17H31ClN6O3/c18-10-6-21-16-14(15(19)23-24(16)8-10)17(25)22-12-7-20-4-3-13(12)27-11-2-1-5-26-9-11/h10-16,20-21,23H,1-9,19H2,(H,22,25)
InChIKeyFEYNJBRICSRKBA-UHFFFAOYSA-N
MW402.93 g/mol
LogP-1.71
Rot. Bonds4

About 2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643867) has the molecular formula C17H31ClN6O3 and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643867
Molecular FormulaC17H31ClN6O3
Molecular Weight402.93 g/mol
Exact Mass402.21
IUPAC Name2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(Cl)CNC2C1C(=O)NC1CNCCC1OC1CCCOC1
InChIInChI=1S/C17H31ClN6O3/c18-10-6-21-16-14(15(19)23-24(16)8-10)17(25)22-12-7-20-4-3-13(12)27-11-2-1-5-26-9-11/h10-16,20-21,23H,1-9,19H2,(H,22,25)
InChIKeyFEYNJBRICSRKBA-UHFFFAOYSA-N
XLogP-1.71
TPSA112.91 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 5-1.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-[4-[(3R)-oxolan-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577718
2-amino-6-chloro-N-[4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279923
2-amino-6-chloro-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 129134667
2-amino-N-[4-[4-(azetidin-1-yl)piperidin-1-yl]piperidin-3-yl]-6-chloro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140644105
2-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643881
2-amino-6-chloro-N-[4-(oxan-3-yloxy)-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212124
2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643739
2-amino-6-chloro-N-[5-fluoro-4-[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 140643940
2-amino-6-fluoro-N-(4-piperidin-1-ylpiperidin-3-yl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643738
2-amino-N-[4-(2-cyclopropylimidazolidin-1-yl)piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577653
2-amino-6-fluoro-N-[4-(5-methyl-1,2,4-triazolidin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134339808
2-amino-6-fluoro-N-[4-(3-methylpiperazin-2-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134340032

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-(oxan-3-yloxy)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-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643867) is 2-amino-6-chloro-N-[4-(oxan-3-yloxy)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-chloro-N-[4-(oxan-3-yloxy)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-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(Cl)CNC2C1C(=O)NC1CNCCC1OC1CCCOC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FEYNJBRICSRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31ClN6O3/c18-10-6-21-16-14(15(19)23-24(16)8-10)17(25)22-12-7-20-4-3-13(12)27-11-2-1-5-26-9-11/h10-16,20-21,23H,1-9,19H2,(H,22,25).
What are the key properties of 2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.93 g/mol, XLogP of -1.71, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-(oxan-3-yloxy)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).