3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea

C28H35N5O2 — CID 42806490

IUPAC3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
SMILESCCCN1CCc2c(c(CN(C(=O)NCc3ccccc3)C3CC3)nn2-c2ccccc2OC)C1
InChIInChI=1S/C28H35N5O2/c1-3-16-31-17-15-25-23(19-31)24(30-33(25)26-11-7-8-12-27(26)35-2)20-32(22-13-14-22)28(34)29-18-21-9-5-4-6-10-21/h4-12,22H,3,13-20H2,1-2H3,(H,29,34)
InChIKeyHYXRCFFODAVYEG-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.52
Rot. Bonds9

About 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea

3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea (PubChem CID 42806490) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea.

Molecular Properties

Compound Name3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
PubChem CID42806490
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
SMILESCCCN1CCc2c(c(CN(C(=O)NCc3ccccc3)C3CC3)nn2-c2ccccc2OC)C1
InChIInChI=1S/C28H35N5O2/c1-3-16-31-17-15-25-23(19-31)24(30-33(25)26-11-7-8-12-27(26)35-2)20-32(22-13-14-22)28(34)29-18-21-9-5-4-6-10-21/h4-12,22H,3,13-20H2,1-2H3,(H,29,34)
InChIKeyHYXRCFFODAVYEG-UHFFFAOYSA-N
XLogP4.52
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622
3-tert-butyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
CID 42806478
2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42871636
N-cyclopropyl-N-[[5-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]thiophene-2-carboxamide
CID 42872565
N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42871635
N-[[5-benzyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42872664
1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea
CID 42806494
N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 42808654
N-cyclopropyl-2-methoxy-N-[[5-[(4-methoxyphenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42872572
(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide
CID 93002198
3-cyclohexyl-1-[[5-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-1-methylurea
CID 42871811
N-(cyclopropylmethyl)-4-fluoro-N-[[1-(2-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42871559

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea?
The IUPAC name of 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea (CID 42806490) is 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea.
What is the SMILES notation for 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea?
The canonical SMILES for 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea is CCCN1CCc2c(c(CN(C(=O)NCc3ccccc3)C3CC3)nn2-c2ccccc2OC)C1.
What is the InChIKey of 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea?
The InChIKey is HYXRCFFODAVYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-3-16-31-17-15-25-23(19-31)24(30-33(25)26-11-7-8-12-27(26)35-2)20-32(22-13-14-22)28(34)29-18-21-9-5-4-6-10-21/h4-12,22H,3,13-20H2,1-2H3,(H,29,34).
What are the key properties of 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea?
3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea has a molecular weight of 473.62 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea is sourced from PubChem (CID 42806490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).