1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone

C20H22N4O3 — CID 91918412

IUPAC1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(OCCOc2cccnc2)CC1
InChIInChI=1S/C20H22N4O3/c25-20(19-17-5-1-2-6-18(17)22-23-19)24-10-7-15(8-11-24)26-12-13-27-16-4-3-9-21-14-16/h1-6,9,14-15H,7-8,10-13H2,(H,22,23)
InChIKeyWNBYCSYYZKKFPF-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.66
Rot. Bonds6

About 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone

1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone (PubChem CID 91918412) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone
PubChem CID91918412
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(OCCOc2cccnc2)CC1
InChIInChI=1S/C20H22N4O3/c25-20(19-17-5-1-2-6-18(17)22-23-19)24-10-7-15(8-11-24)26-12-13-27-16-4-3-9-21-14-16/h1-6,9,14-15H,7-8,10-13H2,(H,22,23)
InChIKeyWNBYCSYYZKKFPF-UHFFFAOYSA-N
XLogP2.66
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Teplinovivint
CID 89451003
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647441
(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 162679119
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137635364
N-[4-[4-[2-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137649435
1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 91800747
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933917
N-methyl-3-pyridin-4-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596227
N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596231
1H-indazol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 56941774

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone (CID 91918412) is 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCC(OCCOc2cccnc2)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone?
The InChIKey is WNBYCSYYZKKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-20(19-17-5-1-2-6-18(17)22-23-19)24-10-7-15(8-11-24)26-12-13-27-16-4-3-9-21-14-16/h1-6,9,14-15H,7-8,10-13H2,(H,22,23).
What are the key properties of 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone?
1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91918412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).