[6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol

C17H18ClN5O2 — CID 170795272

IUPAC[6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol
SMILESCOc1cc2c(C3CNNC3)cn(-c3ccc(CO)nn3)c2cc1Cl
InChIInChI=1S/C17H18ClN5O2/c1-25-16-4-12-13(10-6-19-20-7-10)8-23(15(12)5-14(16)18)17-3-2-11(9-24)21-22-17/h2-5,8,10,19-20,24H,6-7,9H2,1H3
InChIKeyFJLJWSNIKUOCFR-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.77
Rot. Bonds4

About [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol

[6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol (PubChem CID 170795272) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol
PubChem CID170795272
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name[6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol
SMILESCOc1cc2c(C3CNNC3)cn(-c3ccc(CO)nn3)c2cc1Cl
InChIInChI=1S/C17H18ClN5O2/c1-25-16-4-12-13(10-6-19-20-7-10)8-23(15(12)5-14(16)18)17-3-2-11(9-24)21-22-17/h2-5,8,10,19-20,24H,6-7,9H2,1H3
InChIKeyFJLJWSNIKUOCFR-UHFFFAOYSA-N
XLogP1.77
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US20230391786, Example 152
CID 170795239
US20230391786, Example 341
CID 170795271
US12404261, Example 25
CID 164549296
2-[6-chloro-2-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]ethanol;ethane
CID 164549312
2-[6-chloro-2-[5-(1,1-difluoroethyl)-1H-1,2,4-triazol-3-yl]-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]ethanol
CID 164549313
US12404261, Example 119
CID 164549177
N-[(Z,3E)-3-[(4-chloro-1H-indol-5-yl)oxymethylimino]-3-[4-(2-fluoroethyl)piperazin-1-yl]-1-(methylideneamino)prop-1-enyl]-5-cyclopropyl-1H-pyrazol-3-amine
CID 144711043
N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-morpholin-4-ylprop-1-enyl]-5-ethyl-1H-pyrazol-3-amine
CID 144622089
(Z)-N'-[(4-chloro-1H-indol-5-yl)oxymethyl]-3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-ethyl-N-[1-(methylamino)propan-2-yl]-3-(methylideneamino)prop-2-enimidamide;ethane
CID 144622165
[1-[(E)-N-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethyl]-C-[(Z)-2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(methylideneamino)ethenyl]carbonimidoyl]piperidin-4-yl]methanol
CID 144622210
N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-pyridin-4-ylpiperazin-1-yl)prop-1-enyl]-5-methyl-1H-pyrazol-3-amine
CID 144622237
N-[(Z,3E)-3-[(4-chloro-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-propylpiperazin-1-yl)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine;ethane
CID 144622312

Frequently Asked Questions

What is the IUPAC name of [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol?
The IUPAC name of [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol (CID 170795272) is [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol is COc1cc2c(C3CNNC3)cn(-c3ccc(CO)nn3)c2cc1Cl.
What is the InChIKey of [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol?
The InChIKey is FJLJWSNIKUOCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-25-16-4-12-13(10-6-19-20-7-10)8-23(15(12)5-14(16)18)17-3-2-11(9-24)21-22-17/h2-5,8,10,19-20,24H,6-7,9H2,1H3.
What are the key properties of [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol?
[6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol has a molecular weight of 359.82 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-chloro-5-methoxy-3-pyrazolidin-4-ylindol-1-yl)pyridazin-3-yl]methanol is sourced from PubChem (CID 170795272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).