2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H28F2N8O4S — CID 137284584

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)Nc1cncc(F)c1N1CCC(S(=O)(=O)N3CCOCC3)CC1)NCC(F)C2
InChIInChI=1S/C21H28F2N8O4S/c22-13-9-26-20-17(19(24)28-31(20)12-13)21(32)27-16-11-25-10-15(23)18(16)29-3-1-14(2-4-29)36(33,34)30-5-7-35-8-6-30/h10-11,13-14,26H,1-9,12H2,(H2,24,28)(H,27,32)
InChIKeyJAULNWVLRAGWPX-UHFFFAOYSA-N
MW526.57 g/mol
LogP0.65
Rot. Bonds5

About 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284584) has the molecular formula C21H28F2N8O4S and a molecular weight of 526.57 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284584
Molecular FormulaC21H28F2N8O4S
Molecular Weight526.57 g/mol
Exact Mass526.19
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)Nc1cncc(F)c1N1CCC(S(=O)(=O)N3CCOCC3)CC1)NCC(F)C2
InChIInChI=1S/C21H28F2N8O4S/c22-13-9-26-20-17(19(24)28-31(20)12-13)21(32)27-16-11-25-10-15(23)18(16)29-3-1-14(2-4-29)36(33,34)30-5-7-35-8-6-30/h10-11,13-14,26H,1-9,12H2,(H2,24,28)(H,27,32)
InChIKeyJAULNWVLRAGWPX-UHFFFAOYSA-N
XLogP0.65
TPSA147.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.57
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazin-1-yl)sulfonylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199342
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylmorpholine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-propyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146580542
2-amino-7-ethyl-6-fluoro-N-[5-fluoro-4-[4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)piperidin-1-yl]-3-pyridinyl]-7-methyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137284579
2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199393
2-amino-6-fluoro-N-[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123709930
2-amino-N-[5-(difluoromethyl)-4-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-fluorospiro[5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7,1'-cyclodecane]-3-carboxamide
CID 137284572
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
2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169172215
2-amino-N-[4-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(3-methylsulfonylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methylsulfonylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160655715
2-amino-6-fluoro-N-[5-fluoro-4-[4-(oxetane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 130279892
2-amino-6-chloro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200036
2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl](313C)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118137342

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284584) is 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2c(c1C(=O)Nc1cncc(F)c1N1CCC(S(=O)(=O)N3CCOCC3)CC1)NCC(F)C2.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JAULNWVLRAGWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N8O4S/c22-13-9-26-20-17(19(24)28-31(20)12-13)21(32)27-16-11-25-10-15(23)18(16)29-3-1-14(2-4-29)36(33,34)30-5-7-35-8-6-30/h10-11,13-14,26H,1-9,12H2,(H2,24,28)(H,27,32).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 526.57 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-fluoro-4-(4-morpholin-4-ylsulfonylpiperidin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).