2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H41FN8O — CID 137284565

IUPAC2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC1(C)CC(N2CCC(CN(C)C)CC2)C(NC(=O)c2c(N)nn3c2NCC(F)C3)CN1
InChIInChI=1S/C23H41FN8O/c1-5-23(2)10-18(31-8-6-15(7-9-31)13-30(3)4)17(12-27-23)28-22(33)19-20(25)29-32-14-16(24)11-26-21(19)32/h15-18,26-27H,5-14H2,1-4H3,(H2,25,29)(H,28,33)
InChIKeyIHKPZOPFKOJIJJ-UHFFFAOYSA-N
MW464.63 g/mol
LogP1.13
Rot. Bonds6

About 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284565) has the molecular formula C23H41FN8O and a molecular weight of 464.63 g/mol. Its IUPAC name is 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284565
Molecular FormulaC23H41FN8O
Molecular Weight464.63 g/mol
Exact Mass464.34
IUPAC Name2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC1(C)CC(N2CCC(CN(C)C)CC2)C(NC(=O)c2c(N)nn3c2NCC(F)C3)CN1
InChIInChI=1S/C23H41FN8O/c1-5-23(2)10-18(31-8-6-15(7-9-31)13-30(3)4)17(12-27-23)28-22(33)19-20(25)29-32-14-16(24)11-26-21(19)32/h15-18,26-27H,5-14H2,1-4H3,(H2,25,29)(H,28,33)
InChIKeyIHKPZOPFKOJIJJ-UHFFFAOYSA-N
XLogP1.13
TPSA103.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284565) is 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC1(C)CC(N2CCC(CN(C)C)CC2)C(NC(=O)c2c(N)nn3c2NCC(F)C3)CN1.
What is the InChIKey of 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IHKPZOPFKOJIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41FN8O/c1-5-23(2)10-18(31-8-6-15(7-9-31)13-30(3)4)17(12-27-23)28-22(33)19-20(25)29-32-14-16(24)11-26-21(19)32/h15-18,26-27H,5-14H2,1-4H3,(H2,25,29)(H,28,33).
What are the key properties of 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.63 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-ethyl-6-methylpiperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).