3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

C22H26N4O2 — CID 135104245

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCc1[nH]nc(CCC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c1C
InChIInChI=1S/C22H26N4O2/c1-14-15(2)25-26-19(14)7-8-22(27)24-21-13-28-12-17(21)11-16-9-10-23-20-6-4-3-5-18(16)20/h3-6,9-10,17,21H,7-8,11-13H2,1-2H3,(H,24,27)(H,25,26)/t17-,21-/m1/s1
InChIKeyFHDOEHUJEDFPTB-DYESRHJHSA-N
MW378.48 g/mol
LogP2.88
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 135104245) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID135104245
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCc1[nH]nc(CCC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c1C
InChIInChI=1S/C22H26N4O2/c1-14-15(2)25-26-19(14)7-8-22(27)24-21-13-28-12-17(21)11-16-9-10-23-20-6-4-3-5-18(16)20/h3-6,9-10,17,21H,7-8,11-13H2,1-2H3,(H,24,27)(H,25,26)/t17-,21-/m1/s1
InChIKeyFHDOEHUJEDFPTB-DYESRHJHSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (CID 135104245) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is Cc1[nH]nc(CCC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is FHDOEHUJEDFPTB-DYESRHJHSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-15(2)25-26-19(14)7-8-22(27)24-21-13-28-12-17(21)11-16-9-10-23-20-6-4-3-5-18(16)20/h3-6,9-10,17,21H,7-8,11-13H2,1-2H3,(H,24,27)(H,25,26)/t17-,21-/m1/s1.
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 135104245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).