3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide

C24H25F2N7O2 — CID 90279426

IUPAC3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CC[C@@H]2O
InChIInChI=1S/C24H25F2N7O2/c25-14-4-1-5-15(26)19(14)16-9-30-23(28)21(31-16)24(35)32-17-10-29-20-13(6-7-18(20)34)22(17)33-8-2-3-12(27)11-33/h1,4-5,9-10,12,18,34H,2-3,6-8,11,27H2,(H2,28,30)(H,32,35)/t12-,18-/m0/s1
InChIKeyHDXYGJYVVNHCFA-SGTLLEGYSA-N
MW481.51 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide

3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide (PubChem CID 90279426) has the molecular formula C24H25F2N7O2 and a molecular weight of 481.51 g/mol. Its IUPAC name is 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide
PubChem CID90279426
Molecular FormulaC24H25F2N7O2
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC Name3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CC[C@@H]2O
InChIInChI=1S/C24H25F2N7O2/c25-14-4-1-5-15(26)19(14)16-9-30-23(28)21(31-16)24(35)32-17-10-29-20-13(6-7-18(20)34)22(17)33-8-2-3-12(27)11-33/h1,4-5,9-10,12,18,34H,2-3,6-8,11,27H2,(H2,28,30)(H,32,35)/t12-,18-/m0/s1
InChIKeyHDXYGJYVVNHCFA-SGTLLEGYSA-N
XLogP2.56
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide (CID 90279426) is 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide is Nc1ncc(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CC[C@@H]2O.
What is the InChIKey of 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide?
The InChIKey is HDXYGJYVVNHCFA-SGTLLEGYSA-N. The full InChI is InChI=1S/C24H25F2N7O2/c25-14-4-1-5-15(26)19(14)16-9-30-23(28)21(31-16)24(35)32-17-10-29-20-13(6-7-18(20)34)22(17)33-8-2-3-12(27)11-33/h1,4-5,9-10,12,18,34H,2-3,6-8,11,27H2,(H2,28,30)(H,32,35)/t12-,18-/m0/s1.
What are the key properties of 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide?
3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 2.56, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 90279426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).