ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate

C24H29N5O3 — CID 10836636

IUPACethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate
SMILESCCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)N2CCC(CC2)CN3C(=NC4=C3C=CN=C4)C
InChIInChI=1S/C24H29N5O3/c1-3-32-23(30)22(19-7-5-4-6-8-19)27-24(31)28-13-10-18(11-14-28)16-29-17(2)26-20-15-25-12-9-21(20)29/h4-9,12,15,18,22H,3,10-11,13-14,16H2,1-2H3,(H,27,31)/t22-/m0/s1
InChIKeyAVVRLCVJYHNDOL-QFIPXVFZSA-N
MW435.50 g/mol
LogP2.80
Rot. Bonds7

About ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate

ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate (PubChem CID 10836636) has the molecular formula C24H29N5O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate
PubChem CID10836636
Molecular FormulaC24H29N5O3
Molecular Weight435.50 g/mol
Exact Mass435.23
IUPAC Nameethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate
SMILESCCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)N2CCC(CC2)CN3C(=NC4=C3C=CN=C4)C
InChIInChI=1S/C24H29N5O3/c1-3-32-23(30)22(19-7-5-4-6-8-19)27-24(31)28-13-10-18(11-14-28)16-29-17(2)26-20-15-25-12-9-21(20)29/h4-9,12,15,18,22H,3,10-11,13-14,16H2,1-2H3,(H,27,31)/t22-/m0/s1
InChIKeyAVVRLCVJYHNDOL-QFIPXVFZSA-N
XLogP2.80
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity633

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate 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 ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate?
The IUPAC name of ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate (CID 10836636) is ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate is CCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)N2CCC(CC2)CN3C(=NC4=C3C=CN=C4)C.
What is the InChIKey of ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate?
The InChIKey is AVVRLCVJYHNDOL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-32-23(30)22(19-7-5-4-6-8-19)27-24(31)28-13-10-18(11-14-28)16-29-17(2)26-20-15-25-12-9-21(20)29/h4-9,12,15,18,22H,3,10-11,13-14,16H2,1-2H3,(H,27,31)/t22-/m0/s1.
What are the key properties of ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate?
ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate has a molecular weight of 435.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 10836636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).