N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide

C27H35FN4O4 — CID 155160592

IUPACN-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CCCC3(CCC3)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C27H35FN4O4/c1-19-14-22(28)23(29-26(34)32-7-3-6-27(18-32)4-2-5-27)17-21(19)20-15-24(31-8-11-35-12-9-31)30-25(16-20)36-13-10-33/h14-17,33H,2-13,18H2,1H3,(H,29,34)
InChIKeyCICPRALPBGCMIU-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.20
Rot. Bonds6

About N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide

N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide (PubChem CID 155160592) has the molecular formula C27H35FN4O4 and a molecular weight of 498.60 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide
PubChem CID155160592
Molecular FormulaC27H35FN4O4
Molecular Weight498.60 g/mol
Exact Mass498.26
IUPAC NameN-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CCCC3(CCC3)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C27H35FN4O4/c1-19-14-22(28)23(29-26(34)32-7-3-6-27(18-32)4-2-5-27)17-21(19)20-15-24(31-8-11-35-12-9-31)30-25(16-20)36-13-10-33/h14-17,33H,2-13,18H2,1H3,(H,29,34)
InChIKeyCICPRALPBGCMIU-UHFFFAOYSA-N
XLogP4.20
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 155160622
(3E)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethylidene)pyrrolidine-1-carboxamide
CID 155160609
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 155160607
(3S)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155144936
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155160569
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
CID 155160630
1-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-[3-(trifluoromethyl)cyclopentyl]urea
CID 155160638
N-[2-fluoro-4-methyl-5-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide
CID 155253739
(3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 167395770
3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155160644
3-hydroxy-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160907
(3S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 155160905

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide?
The IUPAC name of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide (CID 155160592) is N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide is Cc1cc(F)c(NC(=O)N2CCCC3(CCC3)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.
What is the InChIKey of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide?
The InChIKey is CICPRALPBGCMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O4/c1-19-14-22(28)23(29-26(34)32-7-3-6-27(18-32)4-2-5-27)17-21(19)20-15-24(31-8-11-35-12-9-31)30-25(16-20)36-13-10-33/h14-17,33H,2-13,18H2,1H3,(H,29,34).
What are the key properties of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide?
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide has a molecular weight of 498.60 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide is sourced from PubChem (CID 155160592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).