1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea

C27H29N7O2 — CID 59557946

IUPAC1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccnn1-c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C27H29N7O2/c35-27(31-22-3-7-24(8-4-22)36-25-9-13-28-14-10-25)32-26-11-15-30-34(26)23-5-1-21(2-6-23)12-18-33-19-16-29-17-20-33/h1-11,13-15,29H,12,16-20H2,(H2,31,32,35)
InChIKeyGFYJGBPIFMROFC-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.15
Rot. Bonds8

About 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea

1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 59557946) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID59557946
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccnn1-c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C27H29N7O2/c35-27(31-22-3-7-24(8-4-22)36-25-9-13-28-14-10-25)32-26-11-15-30-34(26)23-5-1-21(2-6-23)12-18-33-19-16-29-17-20-33/h1-11,13-15,29H,12,16-20H2,(H2,31,32,35)
InChIKeyGFYJGBPIFMROFC-UHFFFAOYSA-N
XLogP4.15
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
CID 66561333
4-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
CID 141236544
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
1-[3-tert-butyl-1-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706834
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
N-[[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenyl]methoxy]propanamide
CID 87785860
1-[2-(4-tert-butyl-2-methylphenyl)pyrazol-3-yl]-3-[4-(piperidin-4-ylmethyl)phenyl]urea
CID 68825389
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
1-[3-tert-butyl-1-[4-(2-methoxyethylamino)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706019
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[4-(piperazin-1-ylmethyl)phenyl]urea
CID 59420865
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea (CID 59557946) is 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea is O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccnn1-c1ccc(CCN2CCNCC2)cc1.
What is the InChIKey of 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is GFYJGBPIFMROFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c35-27(31-22-3-7-24(8-4-22)36-25-9-13-28-14-10-25)32-26-11-15-30-34(26)23-5-1-21(2-6-23)12-18-33-19-16-29-17-20-33/h1-11,13-15,29H,12,16-20H2,(H2,31,32,35).
What are the key properties of 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea?
1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 483.58 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 59557946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).