methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate

C22H30ClN5O6 — CID 122552333

IUPACmethyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate
SMILESCOC(=O)NC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OC4CC4)c(Cl)c3n2C)CC1
InChIInChI=1S/C22H30ClN5O6/c1-12(25-20(29)27-22(30)31-3)11-32-13-4-6-15(7-5-13)34-21-26-16-10-24-19(33-14-8-9-14)17(23)18(16)28(21)2/h10,12-15H,4-9,11H2,1-3H3,(H2,25,27,29,30)/t12-,13?,15?/m0/s1
InChIKeyHPBYXAMUSLBUFW-OPFPJEHXSA-N
MW495.96 g/mol
LogP3.32
Rot. Bonds8

About methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate

methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate (PubChem CID 122552333) has the molecular formula C22H30ClN5O6 and a molecular weight of 495.96 g/mol. Its IUPAC name is methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate
PubChem CID122552333
Molecular FormulaC22H30ClN5O6
Molecular Weight495.96 g/mol
Exact Mass495.19
IUPAC Namemethyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate
SMILESCOC(=O)NC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OC4CC4)c(Cl)c3n2C)CC1
InChIInChI=1S/C22H30ClN5O6/c1-12(25-20(29)27-22(30)31-3)11-32-13-4-6-15(7-5-13)34-21-26-16-10-24-19(33-14-8-9-14)17(23)18(16)28(21)2/h10,12-15H,4-9,11H2,1-3H3,(H2,25,27,29,30)/t12-,13?,15?/m0/s1
InChIKeyHPBYXAMUSLBUFW-OPFPJEHXSA-N
XLogP3.32
TPSA125.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.96
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate?
The IUPAC name of methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate (CID 122552333) is methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate.
What is the SMILES notation for methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate?
The canonical SMILES for methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate is COC(=O)NC(=O)N[C@@H](C)COC1CCC(Oc2nc3cnc(OC4CC4)c(Cl)c3n2C)CC1.
What is the InChIKey of methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate?
The InChIKey is HPBYXAMUSLBUFW-OPFPJEHXSA-N. The full InChI is InChI=1S/C22H30ClN5O6/c1-12(25-20(29)27-22(30)31-3)11-32-13-4-6-15(7-5-13)34-21-26-16-10-24-19(33-14-8-9-14)17(23)18(16)28(21)2/h10,12-15H,4-9,11H2,1-3H3,(H2,25,27,29,30)/t12-,13?,15?/m0/s1.
What are the key properties of methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate?
methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate has a molecular weight of 495.96 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(2S)-1-[4-(7-chloro-6-cyclopropyloxy-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxypropan-2-yl]carbamoyl]carbamate is sourced from PubChem (CID 122552333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).