1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea

C24H23N7O2 — CID 69024471

IUPAC1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea
SMILESO=C(c1ccc(NC(=O)N(c2ccccc2)c2ncc3[nH]ccc3n2)cc1)N1CCNCC1
InChIInChI=1S/C24H23N7O2/c32-22(30-14-12-25-13-15-30)17-6-8-18(9-7-17)28-24(33)31(19-4-2-1-3-5-19)23-27-16-21-20(29-23)10-11-26-21/h1-11,16,25-26H,12-15H2,(H,28,33)
InChIKeyRKYDNIYVUXKOPT-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.37
Rot. Bonds4

About 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea

1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea (PubChem CID 69024471) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea
PubChem CID69024471
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea
SMILESO=C(c1ccc(NC(=O)N(c2ccccc2)c2ncc3[nH]ccc3n2)cc1)N1CCNCC1
InChIInChI=1S/C24H23N7O2/c32-22(30-14-12-25-13-15-30)17-6-8-18(9-7-17)28-24(33)31(19-4-2-1-3-5-19)23-27-16-21-20(29-23)10-11-26-21/h1-11,16,25-26H,12-15H2,(H,28,33)
InChIKeyRKYDNIYVUXKOPT-UHFFFAOYSA-N
XLogP3.37
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-phenyl-1-pyrimidin-5-ylurea
CID 68640453
2,2-diphenyl-N-[4-(piperazine-1-carbonyl)phenyl]acetamide
CID 70153616
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 142946306
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide
CID 130206360
piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 129042953
N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524541
N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide
CID 118227108
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea?
The IUPAC name of 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea (CID 69024471) is 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea.
What is the SMILES notation for 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea?
The canonical SMILES for 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea is O=C(c1ccc(NC(=O)N(c2ccccc2)c2ncc3[nH]ccc3n2)cc1)N1CCNCC1.
What is the InChIKey of 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea?
The InChIKey is RKYDNIYVUXKOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c32-22(30-14-12-25-13-15-30)17-6-8-18(9-7-17)28-24(33)31(19-4-2-1-3-5-19)23-27-16-21-20(29-23)10-11-26-21/h1-11,16,25-26H,12-15H2,(H,28,33).
What are the key properties of 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea?
1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea has a molecular weight of 441.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(piperazine-1-carbonyl)phenyl]-1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)urea is sourced from PubChem (CID 69024471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).