methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate

C15H17N3O4 — CID 67620142

IUPACmethyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate
SMILESCOC(=O)Oc1[nH]cc(-c2ccncc2)c1N1CCOCC1
InChIInChI=1S/C15H17N3O4/c1-20-15(19)22-14-13(18-6-8-21-9-7-18)12(10-17-14)11-2-4-16-5-3-11/h2-5,10,17H,6-9H2,1H3
InChIKeyHYUCVEXDYNFJQE-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.06
Rot. Bonds3

About methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate

methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate (PubChem CID 67620142) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate.

Molecular Properties

Compound Namemethyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate
PubChem CID67620142
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate
SMILESCOC(=O)Oc1[nH]cc(-c2ccncc2)c1N1CCOCC1
InChIInChI=1S/C15H17N3O4/c1-20-15(19)22-14-13(18-6-8-21-9-7-18)12(10-17-14)11-2-4-16-5-3-11/h2-5,10,17H,6-9H2,1H3
InChIKeyHYUCVEXDYNFJQE-UHFFFAOYSA-N
XLogP2.06
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 11822850
4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 21479706
methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 110193884
methyl 4-(3-bromophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 10785031
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
1-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 83882794
4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide
CID 21137064
1-methyl-4-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrole-2-carboxamide
CID 118190053
1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone
CID 110172467
methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate
CID 110167805
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139

Frequently Asked Questions

What is the IUPAC name of methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate?
The IUPAC name of methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate (CID 67620142) is methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate.
What is the SMILES notation for methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate?
The canonical SMILES for methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate is COC(=O)Oc1[nH]cc(-c2ccncc2)c1N1CCOCC1.
What is the InChIKey of methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate?
The InChIKey is HYUCVEXDYNFJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-20-15(19)22-14-13(18-6-8-21-9-7-18)12(10-17-14)11-2-4-16-5-3-11/h2-5,10,17H,6-9H2,1H3.
What are the key properties of methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate?
methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate has a molecular weight of 303.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate is sourced from PubChem (CID 67620142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).