1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea

C19H25N5O2 — CID 129347498

IUPAC1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
SMILESCn1nccc1[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1
InChIInChI=1S/C19H25N5O2/c1-24-17(6-8-21-24)18-11-14(7-9-26-18)22-19(25)23-15-10-13-4-2-3-5-16(13)20-12-15/h6,8,10,12,14,18H,2-5,7,9,11H2,1H3,(H2,22,23,25)/t14-,18-/m0/s1
InChIKeyRMELONRLPHPNCR-KSSFIOAISA-N
MW355.44 g/mol
LogP2.74
Rot. Bonds3

About 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea

1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea (PubChem CID 129347498) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea.

Molecular Properties

Compound Name1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
PubChem CID129347498
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
SMILESCn1nccc1[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1
InChIInChI=1S/C19H25N5O2/c1-24-17(6-8-21-24)18-11-14(7-9-26-18)22-19(25)23-15-10-13-4-2-3-5-16(13)20-12-15/h6,8,10,12,14,18H,2-5,7,9,11H2,1H3,(H2,22,23,25)/t14-,18-/m0/s1
InChIKeyRMELONRLPHPNCR-KSSFIOAISA-N
XLogP2.74
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea
CID 167895942
2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide
CID 126815754
1-(5-fluoro-2-pyridinyl)-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477022
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea
CID 75478295
N-[2-(1-methylimidazol-2-yl)oxan-4-yl]-2,4,5,6-tetrahydro-1H-3-benzazocine-3-carboxamide
CID 128633399
1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
CID 75523226
1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
CID 99601199
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea
CID 136584166
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide
CID 128588021
1-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-phenylurea
CID 126804581

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea?
The IUPAC name of 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea (CID 129347498) is 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea.
What is the SMILES notation for 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea?
The canonical SMILES for 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea is Cn1nccc1[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1.
What is the InChIKey of 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea?
The InChIKey is RMELONRLPHPNCR-KSSFIOAISA-N. The full InChI is InChI=1S/C19H25N5O2/c1-24-17(6-8-21-24)18-11-14(7-9-26-18)22-19(25)23-15-10-13-4-2-3-5-16(13)20-12-15/h6,8,10,12,14,18H,2-5,7,9,11H2,1H3,(H2,22,23,25)/t14-,18-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea?
1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea has a molecular weight of 355.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea is sourced from PubChem (CID 129347498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).