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

C23H37F2N9O3 — CID 163439362

IUPAC2-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
SMILESCN1CCOC(C(=O)N2CCN(C3C(F)CNCC3NC(=O)c3c(N)nn4c3N(C)CC(F)C4)CC2)C1
InChIInChI=1S/C23H37F2N9O3/c1-30-7-8-37-17(13-30)23(36)33-5-3-32(4-6-33)19-15(25)9-27-10-16(19)28-21(35)18-20(26)29-34-12-14(24)11-31(2)22(18)34/h14-17,19,27H,3-13H2,1-2H3,(H2,26,29)(H,28,35)
InChIKeyAXEUSYSBBHWBCD-UHFFFAOYSA-N
MW525.61 g/mol
LogP-1.86
Rot. Bonds4

About 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

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 (PubChem CID 163439362) has the molecular formula C23H37F2N9O3 and a molecular weight of 525.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID163439362
Molecular FormulaC23H37F2N9O3
Molecular Weight525.61 g/mol
Exact Mass525.30
IUPAC Name2-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
SMILESCN1CCOC(C(=O)N2CCN(C3C(F)CNCC3NC(=O)c3c(N)nn4c3N(C)CC(F)C4)CC2)C1
InChIInChI=1S/C23H37F2N9O3/c1-30-7-8-37-17(13-30)23(36)33-5-3-32(4-6-33)19-15(25)9-27-10-16(19)28-21(35)18-20(26)29-34-12-14(24)11-31(2)22(18)34/h14-17,19,27H,3-13H2,1-2H3,(H2,26,29)(H,28,35)
InChIKeyAXEUSYSBBHWBCD-UHFFFAOYSA-N
XLogP-1.86
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 5-1.86
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]piperidin-3-yl]-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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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]piperidin-3-yl]-4-methyl-6,7-dihydro-5H-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]piperidin-3-yl]-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163439362) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCOC(C(=O)N2CCN(C3C(F)CNCC3NC(=O)c3c(N)nn4c3N(C)CC(F)C4)CC2)C1.
What is the InChIKey of 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?
The InChIKey is AXEUSYSBBHWBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F2N9O3/c1-30-7-8-37-17(13-30)23(36)33-5-3-32(4-6-33)19-15(25)9-27-10-16(19)28-21(35)18-20(26)29-34-12-14(24)11-31(2)22(18)34/h14-17,19,27H,3-13H2,1-2H3,(H2,26,29)(H,28,35).
What are the key properties of 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?
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 has a molecular weight of 525.61 g/mol, XLogP of -1.86, 4 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]piperidin-3-yl]-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163439362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).