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

C22H39FN8O3 — CID 140643833

IUPAC2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H39FN8O3/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-4-1-17(16)29-5-2-14(3-6-29)22(33)30-7-9-34-10-8-30/h14-20,25-26,28H,1-13,24H2,(H,27,32)
InChIKeyYWAJBEAVFTUNRZ-UHFFFAOYSA-N
MW482.61 g/mol
LogP-2.61
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-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-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643833) has the molecular formula C22H39FN8O3 and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-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-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643833
Molecular FormulaC22H39FN8O3
Molecular Weight482.61 g/mol
Exact Mass482.31
IUPAC Name2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C22H39FN8O3/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-4-1-17(16)29-5-2-14(3-6-29)22(33)30-7-9-34-10-8-30/h14-20,25-26,28H,1-13,24H2,(H,27,32)
InChIKeyYWAJBEAVFTUNRZ-UHFFFAOYSA-N
XLogP-2.61
TPSA127.23 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-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

2-amino-3a-cyclohexyl-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]-2,3,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123449670
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-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]piperidin-3-yl]-6-fluoro-1-methyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134577722
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
2-amino-N-[5-chloro-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643718
2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxypiperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643719
2-amino-6-fluoro-N-[4-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643725
2-amino-N-[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643727
2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperazin-1-yl)piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643730
2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetan-3-ylcarbamoyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643733
2-amino-N-[4-[4-[(3R)-3,4-dimethylpiperazine-1-carbonyl]piperidin-1-yl]-5-fluoropiperidin-3-yl]-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140643742

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-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-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643833) is 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-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-(morpholine-4-carbonyl)piperidin-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-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1NN2CC(F)CNC2C1C(=O)NC1CNCCC1N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YWAJBEAVFTUNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39FN8O3/c23-15-11-26-20-18(19(24)28-31(20)13-15)21(32)27-16-12-25-4-1-17(16)29-5-2-14(3-6-29)22(33)30-7-9-34-10-8-30/h14-20,25-26,28H,1-13,24H2,(H,27,32).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(morpholine-4-carbonyl)piperidin-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-(morpholine-4-carbonyl)piperidin-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 482.61 g/mol, XLogP of -2.61, 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-[4-(morpholine-4-carbonyl)piperidin-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 140643833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).