formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate

C24H32ClN9O3S — CID 168885812

IUPACformamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate
SMILESNC=O.[H]/N=C/N=C(\N)c1cc2c(cn1)nc(C(NC(=O)OC)C(C)C)n2C1CCCC(c2ncc(Cl)s2)C1
InChIInChI=1S/C23H29ClN8O2S.CH3NO/c1-12(2)19(31-23(33)34-3)21-30-16-9-27-15(20(26)29-11-25)8-17(16)32(21)14-6-4-5-13(7-14)22-28-10-18(24)35-22;2-1-3/h8-14,19H,4-7H2,1-3H3,(H,31,33)(H3,25,26,29);1H,(H2,2,3)
InChIKeyMKHATYWCIPBLMD-UHFFFAOYSA-N
MW562.10 g/mol
LogP3.91
Rot. Bonds7

About formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate

formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate (PubChem CID 168885812) has the molecular formula C24H32ClN9O3S and a molecular weight of 562.10 g/mol. Its IUPAC name is formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nameformamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate
PubChem CID168885812
Molecular FormulaC24H32ClN9O3S
Molecular Weight562.10 g/mol
Exact Mass561.20
IUPAC Nameformamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate
SMILESNC=O.[H]/N=C/N=C(\N)c1cc2c(cn1)nc(C(NC(=O)OC)C(C)C)n2C1CCCC(c2ncc(Cl)s2)C1
InChIInChI=1S/C23H29ClN8O2S.CH3NO/c1-12(2)19(31-23(33)34-3)21-30-16-9-27-15(20(26)29-11-25)8-17(16)32(21)14-6-4-5-13(7-14)22-28-10-18(24)35-22;2-1-3/h8-14,19H,4-7H2,1-3H3,(H,31,33)(H3,25,26,29);1H,(H2,2,3)
InChIKeyMKHATYWCIPBLMD-UHFFFAOYSA-N
XLogP3.91
TPSA187.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.10
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate 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 formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate?
The IUPAC name of formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate (CID 168885812) is formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate.
What is the SMILES notation for formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate?
The canonical SMILES for formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate is NC=O.[H]/N=C/N=C(\N)c1cc2c(cn1)nc(C(NC(=O)OC)C(C)C)n2C1CCCC(c2ncc(Cl)s2)C1.
What is the InChIKey of formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate?
The InChIKey is MKHATYWCIPBLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN8O2S.CH3NO/c1-12(2)19(31-23(33)34-3)21-30-16-9-27-15(20(26)29-11-25)8-17(16)32(21)14-6-4-5-13(7-14)22-28-10-18(24)35-22;2-1-3/h8-14,19H,4-7H2,1-3H3,(H,31,33)(H3,25,26,29);1H,(H2,2,3).
What are the key properties of formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate?
formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate has a molecular weight of 562.10 g/mol, XLogP of 3.91, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 168885812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).