5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid

C27H36ClN5O4 — CID 139311110

IUPAC5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid
SMILESCOc1cc(CC2CC(N(C)C)CCN2C(C)c2c(C)c(C(=O)O)cc3cc(Cl)cn23)[nH]c(=O)c1CN
InChIInChI=1S/C27H36ClN5O4/c1-15-22(27(35)36)12-20-8-17(28)14-33(20)25(15)16(2)32-7-6-19(31(3)4)11-21(32)9-18-10-24(37-5)23(13-29)26(34)30-18/h8,10,12,14,16,19,21H,6-7,9,11,13,29H2,1-5H3,(H,30,34)(H,35,36)
InChIKeyUZSKHGWSZJOMFG-UHFFFAOYSA-N
MW530.07 g/mol
LogP3.45
Rot. Bonds8

About 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid

5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid (PubChem CID 139311110) has the molecular formula C27H36ClN5O4 and a molecular weight of 530.07 g/mol. Its IUPAC name is 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid
PubChem CID139311110
Molecular FormulaC27H36ClN5O4
Molecular Weight530.07 g/mol
Exact Mass529.25
IUPAC Name5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid
SMILESCOc1cc(CC2CC(N(C)C)CCN2C(C)c2c(C)c(C(=O)O)cc3cc(Cl)cn23)[nH]c(=O)c1CN
InChIInChI=1S/C27H36ClN5O4/c1-15-22(27(35)36)12-20-8-17(28)14-33(20)25(15)16(2)32-7-6-19(31(3)4)11-21(32)9-18-10-24(37-5)23(13-29)26(34)30-18/h8,10,12,14,16,19,21H,6-7,9,11,13,29H2,1-5H3,(H,30,34)(H,35,36)
InChIKeyUZSKHGWSZJOMFG-UHFFFAOYSA-N
XLogP3.45
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.07
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid 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 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid?
The IUPAC name of 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid (CID 139311110) is 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid.
What is the SMILES notation for 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid?
The canonical SMILES for 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid is COc1cc(CC2CC(N(C)C)CCN2C(C)c2c(C)c(C(=O)O)cc3cc(Cl)cn23)[nH]c(=O)c1CN.
What is the InChIKey of 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid?
The InChIKey is UZSKHGWSZJOMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN5O4/c1-15-22(27(35)36)12-20-8-17(28)14-33(20)25(15)16(2)32-7-6-19(31(3)4)11-21(32)9-18-10-24(37-5)23(13-29)26(34)30-18/h8,10,12,14,16,19,21H,6-7,9,11,13,29H2,1-5H3,(H,30,34)(H,35,36).
What are the key properties of 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid?
5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid has a molecular weight of 530.07 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[[5-(aminomethyl)-4-methoxy-6-oxo-1H-pyridin-2-yl]methyl]-4-(dimethylamino)piperidin-1-yl]ethyl]-2-chloro-6-methylindolizine-7-carboxylic acid is sourced from PubChem (CID 139311110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).