2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H39F2N9O2 — CID 146580183

IUPAC2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CC(F)C(N2CCC(C(=O)N(C)CCN(C)C)CC2)C(NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C25H39F2N9O2/c1-5-34-14-18(27)21(35-8-6-16(7-9-35)25(38)33(4)11-10-32(2)3)19(15-34)30-24(37)20-22(28)31-36-13-17(26)12-29-23(20)36/h12-13,16,18-19,21H,5-11,14-15H2,1-4H3,(H2,28,31)(H,30,37)
InChIKeyVOFAXPLFBLENJC-UHFFFAOYSA-N
MW535.64 g/mol
LogP0.32
Rot. Bonds8

About 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146580183) has the molecular formula C25H39F2N9O2 and a molecular weight of 535.64 g/mol. Its IUPAC name is 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146580183
Molecular FormulaC25H39F2N9O2
Molecular Weight535.64 g/mol
Exact Mass535.32
IUPAC Name2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CC(F)C(N2CCC(C(=O)N(C)CCN(C)C)CC2)C(NC(=O)c2c(N)nn3cc(F)cnc23)C1
InChIInChI=1S/C25H39F2N9O2/c1-5-34-14-18(27)21(35-8-6-16(7-9-35)25(38)33(4)11-10-32(2)3)19(15-34)30-24(37)20-22(28)31-36-13-17(26)12-29-23(20)36/h12-13,16,18-19,21H,5-11,14-15H2,1-4H3,(H2,28,31)(H,30,37)
InChIKeyVOFAXPLFBLENJC-UHFFFAOYSA-N
XLogP0.32
TPSA115.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.64
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146580183) is 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CC(F)C(N2CCC(C(=O)N(C)CCN(C)C)CC2)C(NC(=O)c2c(N)nn3cc(F)cnc23)C1.
What is the InChIKey of 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VOFAXPLFBLENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39F2N9O2/c1-5-34-14-18(27)21(35-8-6-16(7-9-35)25(38)33(4)11-10-32(2)3)19(15-34)30-24(37)20-22(28)31-36-13-17(26)12-29-23(20)36/h12-13,16,18-19,21H,5-11,14-15H2,1-4H3,(H2,28,31)(H,30,37).
What are the key properties of 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 535.64 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]piperidin-1-yl]-1-ethyl-5-fluoropiperidin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146580183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).