5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile

C19H21ClN6O2 — CID 129323773

IUPAC5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)c(Cl)c1
InChIInChI=1S/C19H21ClN6O2/c20-17-6-13(8-21)9-22-19(17)25-4-1-2-14(11-25)26-18(28)7-15(10-23-26)24-5-3-16(27)12-24/h6-7,9-10,14,16,27H,1-5,11-12H2/t14-,16+/m1/s1
InChIKeyFFAMZUPUBYRMMK-ZBFHGGJFSA-N
MW400.87 g/mol
LogP1.58
Rot. Bonds3

About 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 129323773) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID129323773
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)c(Cl)c1
InChIInChI=1S/C19H21ClN6O2/c20-17-6-13(8-21)9-22-19(17)25-4-1-2-14(11-25)26-18(28)7-15(10-23-26)24-5-3-16(27)12-24/h6-7,9-10,14,16,27H,1-5,11-12H2/t14-,16+/m1/s1
InChIKeyFFAMZUPUBYRMMK-ZBFHGGJFSA-N
XLogP1.58
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 129323773) is 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cnc(N2CCC[C@@H](n3ncc(N4CC[C@H](O)C4)cc3=O)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FFAMZUPUBYRMMK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c20-17-6-13(8-21)9-22-19(17)25-4-1-2-14(11-25)26-18(28)7-15(10-23-26)24-5-3-16(27)12-24/h6-7,9-10,14,16,27H,1-5,11-12H2/t14-,16+/m1/s1.
What are the key properties of 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 400.87 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3R)-3-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-6-oxopyridazin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 129323773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).