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

C25H35F2N9O3 — CID 146580542

IUPAC2-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
SMILESCCCC1(F)CNc2c(C(=O)Nc3cncc(F)c3N3CCN(C(=O)C4CN(C)CCO4)CC3)c(N)nn2C1
InChIInChI=1S/C25H35F2N9O3/c1-3-4-25(27)14-30-22-19(21(28)32-36(22)15-25)23(37)31-17-12-29-11-16(26)20(17)34-5-7-35(8-6-34)24(38)18-13-33(2)9-10-39-18/h11-12,18,30H,3-10,13-15H2,1-2H3,(H2,28,32)(H,31,37)
InChIKeyGKAUYLKWGSFNHZ-UHFFFAOYSA-N
MW547.61 g/mol
LogP1.16
Rot. Bonds6

About 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

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 (PubChem CID 146580542) has the molecular formula C25H35F2N9O3 and a molecular weight of 547.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID146580542
Molecular FormulaC25H35F2N9O3
Molecular Weight547.61 g/mol
Exact Mass547.28
IUPAC Name2-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
SMILESCCCC1(F)CNc2c(C(=O)Nc3cncc(F)c3N3CCN(C(=O)C4CN(C)CCO4)CC3)c(N)nn2C1
InChIInChI=1S/C25H35F2N9O3/c1-3-4-25(27)14-30-22-19(21(28)32-36(22)15-25)23(37)31-17-12-29-11-16(26)20(17)34-5-7-35(8-6-34)24(38)18-13-33(2)9-10-39-18/h11-12,18,30H,3-10,13-15H2,1-2H3,(H2,28,32)(H,31,37)
InChIKeyGKAUYLKWGSFNHZ-UHFFFAOYSA-N
XLogP1.16
TPSA133.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.61
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
2-amino-N-[4-[4-(1-ethylpyrrolidine-2-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199658
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-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-6-fluoro-N-[5-fluoro-4-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199563
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-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-(4-methylmorpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163439362
2-amino-6-fluoro-N-[5-fluoro-4-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199597
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199371
2-amino-N-[4-[4-[4-(azetidin-1-yl)piperidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199659

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC1(F)CNc2c(C(=O)Nc3cncc(F)c3N3CCN(C(=O)C4CN(C)CCO4)CC3)c(N)nn2C1.
What is the InChIKey of 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?
The InChIKey is GKAUYLKWGSFNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F2N9O3/c1-3-4-25(27)14-30-22-19(21(28)32-36(22)15-25)23(37)31-17-12-29-11-16(26)20(17)34-5-7-35(8-6-34)24(38)18-13-33(2)9-10-39-18/h11-12,18,30H,3-10,13-15H2,1-2H3,(H2,28,32)(H,31,37).
What are the key properties of 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?
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 has a molecular weight of 547.61 g/mol, XLogP of 1.16, 6 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-(4-methylmorpholine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-propyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146580542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).