N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide

C21H28F2N4O4 — CID 134357807

IUPACN-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CF)COC1CCC(Oc2nc3cnc(OC4CC4)c(F)c3n2C)CC1
InChIInChI=1S/C21H28F2N4O4/c1-12(28)25-13(9-22)11-29-14-3-5-16(6-4-14)31-21-26-17-10-24-20(30-15-7-8-15)18(23)19(17)27(21)2/h10,13-16H,3-9,11H2,1-2H3,(H,25,28)/t13-,14?,16?/m0/s1
InChIKeyWAMSUAYJJVDUNF-HLIUYOAVSA-N
MW438.48 g/mol
LogP2.83
Rot. Bonds9

About N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide

N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide (PubChem CID 134357807) has the molecular formula C21H28F2N4O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide
PubChem CID134357807
Molecular FormulaC21H28F2N4O4
Molecular Weight438.48 g/mol
Exact Mass438.21
IUPAC NameN-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CF)COC1CCC(Oc2nc3cnc(OC4CC4)c(F)c3n2C)CC1
InChIInChI=1S/C21H28F2N4O4/c1-12(28)25-13(9-22)11-29-14-3-5-16(6-4-14)31-21-26-17-10-24-20(30-15-7-8-15)18(23)19(17)27(21)2/h10,13-16H,3-9,11H2,1-2H3,(H,25,28)/t13-,14?,16?/m0/s1
InChIKeyWAMSUAYJJVDUNF-HLIUYOAVSA-N
XLogP2.83
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide (CID 134357807) is N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide is CC(=O)N[C@@H](CF)COC1CCC(Oc2nc3cnc(OC4CC4)c(F)c3n2C)CC1.
What is the InChIKey of N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide?
The InChIKey is WAMSUAYJJVDUNF-HLIUYOAVSA-N. The full InChI is InChI=1S/C21H28F2N4O4/c1-12(28)25-13(9-22)11-29-14-3-5-16(6-4-14)31-21-26-17-10-24-20(30-15-7-8-15)18(23)19(17)27(21)2/h10,13-16H,3-9,11H2,1-2H3,(H,25,28)/t13-,14?,16?/m0/s1.
What are the key properties of N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide?
N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylimidazo[4,5-c]pyridin-2-yl)oxycyclohexyl]oxy-3-fluoropropan-2-yl]acetamide is sourced from PubChem (CID 134357807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).