2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H40F2N8O2 — CID 137284503

IUPAC2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)C1NCC(NC(=O)c2c(N)nn3c2NCC(F)C3)C(N2CCN(CCOC)CC2)C1F
InChIInChI=1S/C23H40F2N8O2/c1-4-14(2)19-18(25)20(32-7-5-31(6-8-32)9-10-35-3)16(12-27-19)29-23(34)17-21(26)30-33-13-15(24)11-28-22(17)33/h14-16,18-20,27-28H,4-13H2,1-3H3,(H2,26,30)(H,29,34)
InChIKeyFHOSMDJVCGONOS-UHFFFAOYSA-N
MW498.62 g/mol
LogP0.32
Rot. Bonds8

About 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284503) has the molecular formula C23H40F2N8O2 and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284503
Molecular FormulaC23H40F2N8O2
Molecular Weight498.62 g/mol
Exact Mass498.32
IUPAC Name2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)C1NCC(NC(=O)c2c(N)nn3c2NCC(F)C3)C(N2CCN(CCOC)CC2)C1F
InChIInChI=1S/C23H40F2N8O2/c1-4-14(2)19-18(25)20(32-7-5-31(6-8-32)9-10-35-3)16(12-27-19)29-23(34)17-21(26)30-33-13-15(24)11-28-22(17)33/h14-16,18-20,27-28H,4-13H2,1-3H3,(H2,26,30)(H,29,34)
InChIKeyFHOSMDJVCGONOS-UHFFFAOYSA-N
XLogP0.32
TPSA112.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284503) is 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)C1NCC(NC(=O)c2c(N)nn3c2NCC(F)C3)C(N2CCN(CCOC)CC2)C1F.
What is the InChIKey of 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FHOSMDJVCGONOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40F2N8O2/c1-4-14(2)19-18(25)20(32-7-5-31(6-8-32)9-10-35-3)16(12-27-19)29-23(34)17-21(26)30-33-13-15(24)11-28-22(17)33/h14-16,18-20,27-28H,4-13H2,1-3H3,(H2,26,30)(H,29,34).
What are the key properties of 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.62 g/mol, XLogP of 0.32, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-butan-2-yl-5-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).