[4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C25H29N5O2S — CID 58885873

IUPAC[4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1cscn1
InChIInChI=1S/C25H29N5O2S/c26-24-23(32-15-21-16-33-17-28-21)13-20(14-27-24)18-3-5-19(6-4-18)25(31)30-11-7-22(8-12-30)29-9-1-2-10-29/h3-6,13-14,16-17,22H,1-2,7-12,15H2,(H2,26,27)
InChIKeyJUAOUOAHCOGXET-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.07
Rot. Bonds6

About [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 58885873) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID58885873
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC Name[4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1cscn1
InChIInChI=1S/C25H29N5O2S/c26-24-23(32-15-21-16-33-17-28-21)13-20(14-27-24)18-3-5-19(6-4-18)25(31)30-11-7-22(8-12-30)29-9-1-2-10-29/h3-6,13-14,16-17,22H,1-2,7-12,15H2,(H2,26,27)
InChIKeyJUAOUOAHCOGXET-UHFFFAOYSA-N
XLogP4.07
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

[4-[6-amino-5-[(4,6-dimethylpyrimidin-2-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885903
[4-[6-amino-5-[(3,4-difluorophenyl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885783
[4-[6-amino-5-[(3-bromophenyl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58886491
[4-[6-amino-5-[(4-fluoro-3-methylphenyl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885923
[4-[6-amino-5-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885758
[4-[6-amino-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58886121
[4-[6-amino-5-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58837239
[4-[6-amino-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885762
[4-[6-amino-5-[[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58886246
[4-[6-amino-5-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 58885938
4-[[2-amino-5-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 58885965
4-[[2-amino-5-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]oxymethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 58886588

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 58885873) is [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1cscn1.
What is the InChIKey of [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is JUAOUOAHCOGXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c26-24-23(32-15-21-16-33-17-28-21)13-20(14-27-24)18-3-5-19(6-4-18)25(31)30-11-7-22(8-12-30)29-9-1-2-10-29/h3-6,13-14,16-17,22H,1-2,7-12,15H2,(H2,26,27).
What are the key properties of [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 463.61 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(1,3-thiazol-4-ylmethoxy)-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 58885873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).