(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide

C23H25F2N5O — CID 125127465

IUPAC(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1
InChIInChI=1S/C23H25F2N5O/c24-17-8-7-15(19(25)12-17)13-27-23(31)16-4-3-10-29(14-16)22-21-18-5-1-2-6-20(18)28-30(21)11-9-26-22/h7-9,11-12,16H,1-6,10,13-14H2,(H,27,31)/t16-/m0/s1
InChIKeyNEIIDZJEPISSDY-INIZCTEOSA-N
MW425.48 g/mol
LogP3.42
Rot. Bonds4

About (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide

(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (PubChem CID 125127465) has the molecular formula C23H25F2N5O and a molecular weight of 425.48 g/mol. Its IUPAC name is (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
PubChem CID125127465
Molecular FormulaC23H25F2N5O
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC Name(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1
InChIInChI=1S/C23H25F2N5O/c24-17-8-7-15(19(25)12-17)13-27-23(31)16-4-3-10-29(14-16)22-21-18-5-1-2-6-20(18)28-30(21)11-9-26-22/h7-9,11-12,16H,1-6,10,13-14H2,(H,27,31)/t16-/m0/s1
InChIKeyNEIIDZJEPISSDY-INIZCTEOSA-N
XLogP3.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (CID 125127465) is (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is O=C(NCc1ccc(F)cc1F)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1.
What is the InChIKey of (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The InChIKey is NEIIDZJEPISSDY-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25F2N5O/c24-17-8-7-15(19(25)12-17)13-27-23(31)16-4-3-10-29(14-16)22-21-18-5-1-2-6-20(18)28-30(21)11-9-26-22/h7-9,11-12,16H,1-6,10,13-14H2,(H,27,31)/t16-/m0/s1.
What are the key properties of (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 125127465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).