1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea

C25H25IN6O2 — CID 143465784

IUPAC1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(C(C)CI)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2)cc1
InChIInChI=1S/C25H25IN6O2/c1-16-3-7-19(8-4-16)32-24(14-22(31-32)17(2)15-26)30-25(33)29-18-5-9-20(10-6-18)34-21-11-12-28-23(27)13-21/h3-14,17H,15H2,1-2H3,(H2,27,28)(H2,29,30,33)
InChIKeyYDSWWAGXALMLRQ-UHFFFAOYSA-N
MW568.42 g/mol
LogP6.13
Rot. Bonds7

About 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea

1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea (PubChem CID 143465784) has the molecular formula C25H25IN6O2 and a molecular weight of 568.42 g/mol. Its IUPAC name is 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
PubChem CID143465784
Molecular FormulaC25H25IN6O2
Molecular Weight568.42 g/mol
Exact Mass568.11
IUPAC Name1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(C(C)CI)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2)cc1
InChIInChI=1S/C25H25IN6O2/c1-16-3-7-19(8-4-16)32-24(14-22(31-32)17(2)15-26)30-25(33)29-18-5-9-20(10-6-18)34-21-11-12-28-23(27)13-21/h3-14,17H,15H2,1-2H3,(H2,27,28)(H2,29,30,33)
InChIKeyYDSWWAGXALMLRQ-UHFFFAOYSA-N
XLogP6.13
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.42
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]urea
CID 69149423
4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385436
1-[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl]-3-[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl]urea
CID 16730957
N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11947961
1-[3-tert-butyl-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 141209874
1-[3-tert-butyl-1-[4-(3-hydroxypropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11511705
1-[3-tert-butyl-1-[4-(2-methoxyethylamino)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706019
4-[4-[[1-(1,3-benzothiazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69295346
N-[[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenyl]methoxy]propanamide
CID 87785860
4-[4-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
CID 58385407
[1-[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenoxy]-3,3-dimethylbutan-2-yl] carbamate
CID 67221458
N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 69295363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The IUPAC name of 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea (CID 143465784) is 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea is Cc1ccc(-n2nc(C(C)CI)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2)cc1.
What is the InChIKey of 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The InChIKey is YDSWWAGXALMLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25IN6O2/c1-16-3-7-19(8-4-16)32-24(14-22(31-32)17(2)15-26)30-25(33)29-18-5-9-20(10-6-18)34-21-11-12-28-23(27)13-21/h3-14,17H,15H2,1-2H3,(H2,27,28)(H2,29,30,33).
What are the key properties of 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea has a molecular weight of 568.42 g/mol, XLogP of 6.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-3-[3-(1-iodopropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea is sourced from PubChem (CID 143465784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).