(3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C29H37N5O2 — CID 134329564

IUPAC(3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN5CC[C@H](N)C5=O)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H37N5O2/c1-17(2)27-23-15-21(5-6-25(23)32-28(27)22-13-18(3)31-19(4)14-22)20-7-10-33(11-8-20)26(35)16-34-12-9-24(30)29(34)36/h5-6,13-15,17,20,24,32H,7-12,16,30H2,1-4H3/t24-/m0/s1
InChIKeyTUFXNBCTCAVOHQ-DEOSSOPVSA-N
MW487.65 g/mol
LogP4.24
Rot. Bonds5

About (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

(3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 134329564) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID134329564
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC Name(3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN5CC[C@H](N)C5=O)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H37N5O2/c1-17(2)27-23-15-21(5-6-25(23)32-28(27)22-13-18(3)31-19(4)14-22)20-7-10-33(11-8-20)26(35)16-34-12-9-24(30)29(34)36/h5-6,13-15,17,20,24,32H,7-12,16,30H2,1-4H3/t24-/m0/s1
InChIKeyTUFXNBCTCAVOHQ-DEOSSOPVSA-N
XLogP4.24
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 134329564) is (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN5CC[C@H](N)C5=O)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is TUFXNBCTCAVOHQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-17(2)27-23-15-21(5-6-25(23)32-28(27)22-13-18(3)31-19(4)14-22)20-7-10-33(11-8-20)26(35)16-34-12-9-24(30)29(34)36/h5-6,13-15,17,20,24,32H,7-12,16,30H2,1-4H3/t24-/m0/s1.
What are the key properties of (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
(3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 487.65 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 134329564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).