N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

C21H28N4O2 — CID 45244491

IUPACN-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
SMILESCC(C)c1cc(CN2CCc3ccc(NC(=O)C4CCCO4)cc3C2)[nH]n1
InChIInChI=1S/C21H28N4O2/c1-14(2)19-11-18(23-24-19)13-25-8-7-15-5-6-17(10-16(15)12-25)22-21(26)20-4-3-9-27-20/h5-6,10-11,14,20H,3-4,7-9,12-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyUPLCOSWHKNPSIH-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.21
Rot. Bonds5

About N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (PubChem CID 45244491) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
PubChem CID45244491
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
SMILESCC(C)c1cc(CN2CCc3ccc(NC(=O)C4CCCO4)cc3C2)[nH]n1
InChIInChI=1S/C21H28N4O2/c1-14(2)19-11-18(23-24-19)13-25-8-7-15-5-6-17(10-16(15)12-25)22-21(26)20-4-3-9-27-20/h5-6,10-11,14,20H,3-4,7-9,12-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyUPLCOSWHKNPSIH-UHFFFAOYSA-N
XLogP3.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45171333
N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 24791649
N-[2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45215598
N-[2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45180223
(2R)-N-[2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 42462011
N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 72897351
N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide
CID 24791865
N-[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45183582
N-[2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45195102
(2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 97274157
(2R)-N-[2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 97278659
(2R)-N-[2-[2-(1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 25364240

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (CID 45244491) is N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is CC(C)c1cc(CN2CCc3ccc(NC(=O)C4CCCO4)cc3C2)[nH]n1.
What is the InChIKey of N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The InChIKey is UPLCOSWHKNPSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(2)19-11-18(23-24-19)13-25-8-7-15-5-6-17(10-16(15)12-25)22-21(26)20-4-3-9-27-20/h5-6,10-11,14,20H,3-4,7-9,12-13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is sourced from PubChem (CID 45244491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).