1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea

C19H26N6O3S — CID 126938378

IUPAC1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)COCC2)Nc1nccs1
InChIInChI=1S/C19H26N6O3S/c26-17-11-14-13-28-9-4-16(14)23-25(17)8-7-24-6-2-1-3-15(24)12-21-18(27)22-19-20-5-10-29-19/h5,10-11,15H,1-4,6-9,12-13H2,(H2,20,21,22,27)
InChIKeyRCURHDLPJLRJFX-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.45
Rot. Bonds6

About 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea

1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 126938378) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID126938378
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC Name1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)COCC2)Nc1nccs1
InChIInChI=1S/C19H26N6O3S/c26-17-11-14-13-28-9-4-16(14)23-25(17)8-7-24-6-2-1-3-15(24)12-21-18(27)22-19-20-5-10-29-19/h5,10-11,15H,1-4,6-9,12-13H2,(H2,20,21,22,27)
InChIKeyRCURHDLPJLRJFX-UHFFFAOYSA-N
XLogP1.45
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

2-[2-[2-[(1,3-thiazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938403
2-[2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938404
N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide
CID 126938334
2-[2-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938482
N-[[1-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]cyclopropanecarboxamide
CID 126938491
2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938481
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126938157
2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide
CID 126938304
2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938399
2-methyl-N-[[1-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]pyrazole-3-carboxamide
CID 126938526
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126938203
2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938267

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea (CID 126938378) is 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea is O=C(NCC1CCCCN1CCn1nc2c(cc1=O)COCC2)Nc1nccs1.
What is the InChIKey of 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is RCURHDLPJLRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c26-17-11-14-13-28-9-4-16(14)23-25(17)8-7-24-6-2-1-3-15(24)12-21-18(27)22-19-20-5-10-29-19/h5,10-11,15H,1-4,6-9,12-13H2,(H2,20,21,22,27).
What are the key properties of 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 418.52 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 126938378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).