3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine

C17H16ClN7 — CID 139029302

IUPAC3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine
SMILESClc1cnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)nc1
InChIInChI=1S/C17H16ClN7/c18-14-11-20-17(21-12-14)25-9-7-24(8-10-25)16-2-1-15(22-23-16)13-3-5-19-6-4-13/h1-6,11-12H,7-10H2
InChIKeyXFLXVALKBHBAJB-UHFFFAOYSA-N
MW353.82 g/mol
LogP2.31
Rot. Bonds3

About 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine

3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine (PubChem CID 139029302) has the molecular formula C17H16ClN7 and a molecular weight of 353.82 g/mol. Its IUPAC name is 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine.

Molecular Properties

Compound Name3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine
PubChem CID139029302
Molecular FormulaC17H16ClN7
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine
SMILESClc1cnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)nc1
InChIInChI=1S/C17H16ClN7/c18-14-11-20-17(21-12-14)25-9-7-24(8-10-25)16-2-1-15(22-23-16)13-3-5-19-6-4-13/h1-6,11-12H,7-10H2
InChIKeyXFLXVALKBHBAJB-UHFFFAOYSA-N
XLogP2.31
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-4-pyridin-4-ylpyrimidine
CID 163351993
4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282658
6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 166605274
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240
1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058281
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058275
3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 165432773
5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171998892
[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121058331
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrimidin-2-amine
CID 126920018
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine?
The IUPAC name of 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine (CID 139029302) is 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine.
What is the SMILES notation for 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine?
The canonical SMILES for 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine is Clc1cnc(N2CCN(c3ccc(-c4ccncc4)nn3)CC2)nc1.
What is the InChIKey of 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine?
The InChIKey is XFLXVALKBHBAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7/c18-14-11-20-17(21-12-14)25-9-7-24(8-10-25)16-2-1-15(22-23-16)13-3-5-19-6-4-13/h1-6,11-12H,7-10H2.
What are the key properties of 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine?
3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine has a molecular weight of 353.82 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-6-pyridin-4-ylpyridazine is sourced from PubChem (CID 139029302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).