1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea

C42H35N11O2 — CID 144810899

IUPAC1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea
SMILESCc1cc(NC(=O)Nc2cc(C)nn2-c2cccc(-c3ccc(-n4nc(-c5ccccc5)cc4NC(=O)Nc4ccccn4)cc3)c2)n(-c2ccccc2)n1
InChIInChI=1S/C42H35N11O2/c1-28-24-38(51(48-28)33-15-7-4-8-16-33)45-42(55)46-39-25-29(2)49-53(39)35-17-11-14-32(26-35)30-19-21-34(22-20-30)52-40(27-36(50-52)31-12-5-3-6-13-31)47-41(54)44-37-18-9-10-23-43-37/h3-27H,1-2H3,(H2,45,46,55)(H2,43,44,47,54)
InChIKeyOGUWYGFUKRGYHE-UHFFFAOYSA-N
MW725.82 g/mol
LogP8.88
Rot. Bonds9

About 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea

1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea (PubChem CID 144810899) has the molecular formula C42H35N11O2 and a molecular weight of 725.82 g/mol. Its IUPAC name is 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea
PubChem CID144810899
Molecular FormulaC42H35N11O2
Molecular Weight725.82 g/mol
Exact Mass725.30
IUPAC Name1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea
SMILESCc1cc(NC(=O)Nc2cc(C)nn2-c2cccc(-c3ccc(-n4nc(-c5ccccc5)cc4NC(=O)Nc4ccccn4)cc3)c2)n(-c2ccccc2)n1
InChIInChI=1S/C42H35N11O2/c1-28-24-38(51(48-28)33-15-7-4-8-16-33)45-42(55)46-39-25-29(2)49-53(39)35-17-11-14-32(26-35)30-19-21-34(22-20-30)52-40(27-36(50-52)31-12-5-3-6-13-31)47-41(54)44-37-18-9-10-23-43-37/h3-27H,1-2H3,(H2,45,46,55)(H2,43,44,47,54)
InChIKeyOGUWYGFUKRGYHE-UHFFFAOYSA-N
XLogP8.88
TPSA148.61 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.82
LogP ≤ 58.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea (CID 144810899) is 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea is Cc1cc(NC(=O)Nc2cc(C)nn2-c2cccc(-c3ccc(-n4nc(-c5ccccc5)cc4NC(=O)Nc4ccccn4)cc3)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea?
The InChIKey is OGUWYGFUKRGYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N11O2/c1-28-24-38(51(48-28)33-15-7-4-8-16-33)45-42(55)46-39-25-29(2)49-53(39)35-17-11-14-32(26-35)30-19-21-34(22-20-30)52-40(27-36(50-52)31-12-5-3-6-13-31)47-41(54)44-37-18-9-10-23-43-37/h3-27H,1-2H3,(H2,45,46,55)(H2,43,44,47,54).
What are the key properties of 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea?
1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea has a molecular weight of 725.82 g/mol, XLogP of 8.88, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[3-[3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)carbamoylamino]pyrazol-1-yl]phenyl]phenyl]-3-phenylpyrazol-5-yl]-3-pyridin-2-ylurea is sourced from PubChem (CID 144810899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).