1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea

C38H42N10O4 — CID 158264316

IUPAC1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea
SMILESCOc1cccc([C@@H](C)NC(=O)Nc2cc(-c3ccnc(C)c3)[nH]n2)c1.COc1cccc([C@@H](C)NC(=O)Nc2cc(-c3ccncc3C)[nH]n2)c1
InChIInChI=1S/2C19H21N5O2/c1-12-11-20-8-7-16(12)17-10-18(24-23-17)22-19(25)21-13(2)14-5-4-6-15(9-14)26-3;1-12-9-15(7-8-20-12)17-11-18(24-23-17)22-19(25)21-13(2)14-5-4-6-16(10-14)26-3/h2*4-11,13H,1-3H3,(H3,21,22,23,24,25)/t2*13-/m11/s1
InChIKeyGIGCPPXAYXSQGB-DKAPBGRZSA-N
MW702.82 g/mol
LogP7.34
Rot. Bonds10

About 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea

1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea (PubChem CID 158264316) has the molecular formula C38H42N10O4 and a molecular weight of 702.82 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea
PubChem CID158264316
Molecular FormulaC38H42N10O4
Molecular Weight702.82 g/mol
Exact Mass702.34
IUPAC Name1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea
SMILESCOc1cccc([C@@H](C)NC(=O)Nc2cc(-c3ccnc(C)c3)[nH]n2)c1.COc1cccc([C@@H](C)NC(=O)Nc2cc(-c3ccncc3C)[nH]n2)c1
InChIInChI=1S/2C19H21N5O2/c1-12-11-20-8-7-16(12)17-10-18(24-23-17)22-19(25)21-13(2)14-5-4-6-15(9-14)26-3;1-12-9-15(7-8-20-12)17-11-18(24-23-17)22-19(25)21-13(2)14-5-4-6-16(10-14)26-3/h2*4-11,13H,1-3H3,(H3,21,22,23,24,25)/t2*13-/m11/s1
InChIKeyGIGCPPXAYXSQGB-DKAPBGRZSA-N
XLogP7.34
TPSA183.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 57.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 89536143
1-[1-[1-(4-Methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-diazinan-2-one
CID 11983528
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[5-(1H-pyrazol-4-yl)-2-pyridinyl]urea
CID 68519792
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]urea
CID 92044663
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 92044664
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[3-(2-methylpyridin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044767
1-[(2-fluoro-6-methoxyphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044798
1-[(4-fluoro-2-methoxyphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044819
1-[(2-methoxyphenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044826
1-[3-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044901
1-[3-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044915
1-Ethyl-3-[5-(3-methoxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 44571746

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea (CID 158264316) is 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea is COc1cccc([C@@H](C)NC(=O)Nc2cc(-c3ccnc(C)c3)[nH]n2)c1.COc1cccc([C@@H](C)NC(=O)Nc2cc(-c3ccncc3C)[nH]n2)c1.
What is the InChIKey of 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea?
The InChIKey is GIGCPPXAYXSQGB-DKAPBGRZSA-N. The full InChI is InChI=1S/2C19H21N5O2/c1-12-11-20-8-7-16(12)17-10-18(24-23-17)22-19(25)21-13(2)14-5-4-6-15(9-14)26-3;1-12-9-15(7-8-20-12)17-11-18(24-23-17)22-19(25)21-13(2)14-5-4-6-16(10-14)26-3/h2*4-11,13H,1-3H3,(H3,21,22,23,24,25)/t2*13-/m11/s1.
What are the key properties of 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea?
1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea has a molecular weight of 702.82 g/mol, XLogP of 7.34, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea;1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-[5-(3-methyl-4-pyridinyl)-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 158264316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).