[5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid

C25H27N7O4 — CID 66729492

IUPAC[5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
SMILESCOc1cc(Cn2cc(C(=O)NCc3c(C)cc(NC(=O)O)nc3C)cn2)ccc1Cn1cccn1
InChIInChI=1S/C25H27N7O4/c1-16-9-23(30-25(34)35)29-17(2)21(16)12-26-24(33)20-11-28-32(15-20)13-18-5-6-19(22(10-18)36-3)14-31-8-4-7-27-31/h4-11,15H,12-14H2,1-3H3,(H,26,33)(H,29,30)(H,34,35)
InChIKeyDITGFBNSKNKYRT-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.22
Rot. Bonds9

About [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid

[5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid (PubChem CID 66729492) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
PubChem CID66729492
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC Name[5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid
SMILESCOc1cc(Cn2cc(C(=O)NCc3c(C)cc(NC(=O)O)nc3C)cn2)ccc1Cn1cccn1
InChIInChI=1S/C25H27N7O4/c1-16-9-23(30-25(34)35)29-17(2)21(16)12-26-24(33)20-11-28-32(15-20)13-18-5-6-19(22(10-18)36-3)14-31-8-4-7-27-31/h4-11,15H,12-14H2,1-3H3,(H,26,33)(H,29,30)(H,34,35)
InChIKeyDITGFBNSKNKYRT-UHFFFAOYSA-N
XLogP3.22
TPSA136.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[5-[[[1-[[4-[(2,5-dihydroxypyrrol-1-yl)methyl]phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 123512175
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid
CID 66723619
[4,6-dimethyl-5-[(1H-pyrrole-3-carbonylamino)methyl]-2-pyridinyl]carbamic acid
CID 66729186
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide;ethyl 1H-pyrazole-4-carboxylate;1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 158294833
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 56836261
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25404296
1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 126799547
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-benzyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836332

Frequently Asked Questions

What is the IUPAC name of [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?
The IUPAC name of [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid (CID 66729492) is [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid is COc1cc(Cn2cc(C(=O)NCc3c(C)cc(NC(=O)O)nc3C)cn2)ccc1Cn1cccn1.
What is the InChIKey of [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?
The InChIKey is DITGFBNSKNKYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-16-9-23(30-25(34)35)29-17(2)21(16)12-26-24(33)20-11-28-32(15-20)13-18-5-6-19(22(10-18)36-3)14-31-8-4-7-27-31/h4-11,15H,12-14H2,1-3H3,(H,26,33)(H,29,30)(H,34,35).
What are the key properties of [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid?
[5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid has a molecular weight of 489.54 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamic acid is sourced from PubChem (CID 66729492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).