3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide

C24H24Cl2N6O — CID 146537275

IUPAC3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C(N)=O)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H24Cl2N6O/c1-13-19(15-4-2-6-16(25)18(15)26)31-20(22(28)33)23(30-13)32-10-7-24(8-11-32)12-17-14(21(24)27)5-3-9-29-17/h2-6,9,21H,7-8,10-12,27H2,1H3,(H2,28,33)/t21-/m1/s1
InChIKeyDXABEHDCBUUJII-OAQYLSRUSA-N
MW483.40 g/mol
LogP4.10
Rot. Bonds3

About 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide

3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide (PubChem CID 146537275) has the molecular formula C24H24Cl2N6O and a molecular weight of 483.40 g/mol. Its IUPAC name is 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide
PubChem CID146537275
Molecular FormulaC24H24Cl2N6O
Molecular Weight483.40 g/mol
Exact Mass482.14
IUPAC Name3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C(N)=O)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H24Cl2N6O/c1-13-19(15-4-2-6-16(25)18(15)26)31-20(22(28)33)23(30-13)32-10-7-24(8-11-32)12-17-14(21(24)27)5-3-9-29-17/h2-6,9,21H,7-8,10-12,27H2,1H3,(H2,28,33)/t21-/m1/s1
InChIKeyDXABEHDCBUUJII-OAQYLSRUSA-N
XLogP4.10
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide (CID 146537275) is 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide is Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(C(N)=O)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is DXABEHDCBUUJII-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24Cl2N6O/c1-13-19(15-4-2-6-16(25)18(15)26)31-20(22(28)33)23(30-13)32-10-7-24(8-11-32)12-17-14(21(24)27)5-3-9-29-17/h2-6,9,21H,7-8,10-12,27H2,1H3,(H2,28,33)/t21-/m1/s1.
What are the key properties of 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide?
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 483.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 146537275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).