(1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one

C26H27N5O2 — CID 159287871

IUPAC(1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESNc1ccc2c(n1)CC[C@H]2CC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1
InChIInChI=1S/C26H27N5O2/c27-25-8-6-21-18(5-7-23(21)29-25)10-24(32)20-11-28-31(15-20)13-17-3-1-16(2-4-17)12-30-14-19-9-22(19)26(30)33/h1-4,6,8,11,15,18-19,22H,5,7,9-10,12-14H2,(H2,27,29)/t18-,19-,22-/m0/s1
InChIKeyKZSWLAXCYJRYPN-IPJJNNNSSA-N
MW441.54 g/mol
LogP3.19
Rot. Bonds7

About (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one

(1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 159287871) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID159287871
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name(1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESNc1ccc2c(n1)CC[C@H]2CC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1
InChIInChI=1S/C26H27N5O2/c27-25-8-6-21-18(5-7-23(21)29-25)10-24(32)20-11-28-31(15-20)13-17-3-1-16(2-4-17)12-30-14-19-9-22(19)26(30)33/h1-4,6,8,11,15,18-19,22H,5,7,9-10,12-14H2,(H2,27,29)/t18-,19-,22-/m0/s1
InChIKeyKZSWLAXCYJRYPN-IPJJNNNSSA-N
XLogP3.19
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one (CID 159287871) is (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one is Nc1ccc2c(n1)CC[C@H]2CC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1.
What is the InChIKey of (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is KZSWLAXCYJRYPN-IPJJNNNSSA-N. The full InChI is InChI=1S/C26H27N5O2/c27-25-8-6-21-18(5-7-23(21)29-25)10-24(32)20-11-28-31(15-20)13-17-3-1-16(2-4-17)12-30-14-19-9-22(19)26(30)33/h1-4,6,8,11,15,18-19,22H,5,7,9-10,12-14H2,(H2,27,29)/t18-,19-,22-/m0/s1.
What are the key properties of (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 441.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[[4-[[4-[2-[(5S)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 159287871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).