(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone

C25H31N5O3 — CID 90617259

IUPAC(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOc1c2ccc(C(=O)N3CCC(N4CCC(Oc5ccncc5)CC4)CC3)cc2nn1C
InChIInChI=1S/C25H31N5O3/c1-28-25(32-2)22-4-3-18(17-23(22)27-28)24(31)30-13-7-19(8-14-30)29-15-9-21(10-16-29)33-20-5-11-26-12-6-20/h3-6,11-12,17,19,21H,7-10,13-16H2,1-2H3
InChIKeyKDMBUCVZWFWDKL-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.12
Rot. Bonds5

About (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone

(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90617259) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90617259
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOc1c2ccc(C(=O)N3CCC(N4CCC(Oc5ccncc5)CC4)CC3)cc2nn1C
InChIInChI=1S/C25H31N5O3/c1-28-25(32-2)22-4-3-18(17-23(22)27-28)24(31)30-13-7-19(8-14-30)29-15-9-21(10-16-29)33-20-5-11-26-12-6-20/h3-6,11-12,17,19,21H,7-10,13-16H2,1-2H3
InChIKeyKDMBUCVZWFWDKL-UHFFFAOYSA-N
XLogP3.12
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-methoxyethoxy)phenyl]-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617275
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540785
(4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617189
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
CID 90617337
(2-methylsulfanylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617133
5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540539
3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940655
1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 90617112
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(E)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90617374
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90617259) is (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is COc1c2ccc(C(=O)N3CCC(N4CCC(Oc5ccncc5)CC4)CC3)cc2nn1C.
What is the InChIKey of (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is KDMBUCVZWFWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-28-25(32-2)22-4-3-18(17-23(22)27-28)24(31)30-13-7-19(8-14-30)29-15-9-21(10-16-29)33-20-5-11-26-12-6-20/h3-6,11-12,17,19,21H,7-10,13-16H2,1-2H3.
What are the key properties of (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 449.56 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90617259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).