pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate

C23H21F2N5O5 — CID 68761774

IUPACpyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate
SMILESCOc1ccc(Oc2ccc(N(C)C(=O)C3(NC(=O)Oc4cncnc4)CC3)nc2)c(C(F)F)c1
InChIInChI=1S/C23H21F2N5O5/c1-30(21(31)23(7-8-23)29-22(32)35-16-10-26-13-27-11-16)19-6-4-15(12-28-19)34-18-5-3-14(33-2)9-17(18)20(24)25/h3-6,9-13,20H,7-8H2,1-2H3,(H,29,32)
InChIKeyFALGGRAZCAHRTH-UHFFFAOYSA-N
MW485.45 g/mol
LogP3.89
Rot. Bonds8

About pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate

pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate (PubChem CID 68761774) has the molecular formula C23H21F2N5O5 and a molecular weight of 485.45 g/mol. Its IUPAC name is pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namepyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate
PubChem CID68761774
Molecular FormulaC23H21F2N5O5
Molecular Weight485.45 g/mol
Exact Mass485.15
IUPAC Namepyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate
SMILESCOc1ccc(Oc2ccc(N(C)C(=O)C3(NC(=O)Oc4cncnc4)CC3)nc2)c(C(F)F)c1
InChIInChI=1S/C23H21F2N5O5/c1-30(21(31)23(7-8-23)29-22(32)35-16-10-26-13-27-11-16)19-6-4-15(12-28-19)34-18-5-3-14(33-2)9-17(18)20(24)25/h3-6,9-13,20H,7-8H2,1-2H3,(H,29,32)
InChIKeyFALGGRAZCAHRTH-UHFFFAOYSA-N
XLogP3.89
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

pyrimidin-5-yl N-[1-[methyl-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamoyl]cyclopropyl]carbamate
CID 66616719
pyrimidin-5-yl N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]-3-oxocyclobutyl]carbamate
CID 67534570
N-(5-methoxy-2-pyridinyl)-N,1-dimethylcyclopropane-1-carboxamide
CID 166216775
pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate
CID 91338734
pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate
CID 91110052
pyrimidin-5-yl N-[(3S)-3-[[5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]-methylcarbamoyl]oxolan-3-yl]carbamate
CID 66616763
pyrimidin-5-yl N-[1-acetyl-3-[[2-chloro-4-(2-chloro-4-methoxyphenoxy)phenyl]methylcarbamoyl]pyrrolidin-3-yl]carbamate
CID 67534114
pyrimidin-5-yl N-[1-[[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 68759527
5-amino-N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 46898751
1-[(2-amino-2-methylpropanoyl)amino]-N-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 70854638
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 46899287
2-chloro-N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide
CID 46898753

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate?
The IUPAC name of pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate (CID 68761774) is pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate?
The canonical SMILES for pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate is COc1ccc(Oc2ccc(N(C)C(=O)C3(NC(=O)Oc4cncnc4)CC3)nc2)c(C(F)F)c1.
What is the InChIKey of pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate?
The InChIKey is FALGGRAZCAHRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O5/c1-30(21(31)23(7-8-23)29-22(32)35-16-10-26-13-27-11-16)19-6-4-15(12-28-19)34-18-5-3-14(33-2)9-17(18)20(24)25/h3-6,9-13,20H,7-8H2,1-2H3,(H,29,32).
What are the key properties of pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate?
pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate has a molecular weight of 485.45 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl N-[1-[[5-[2-(difluoromethyl)-4-methoxyphenoxy]-2-pyridinyl]-methylcarbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 68761774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).