1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea

C21H16N8O — CID 146076553

IUPAC1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1ccn(Cc2cccc3cccnc23)n1)Nc1ncnc2ncccc12
InChIInChI=1S/C21H16N8O/c30-21(27-20-16-7-3-10-23-19(16)24-13-25-20)26-17-8-11-29(28-17)12-15-5-1-4-14-6-2-9-22-18(14)15/h1-11,13H,12H2,(H2,23,24,25,26,27,28,30)
InChIKeyIEEPLNCIDKQDLU-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.46
Rot. Bonds4

About 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea

1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea (PubChem CID 146076553) has the molecular formula C21H16N8O and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea
PubChem CID146076553
Molecular FormulaC21H16N8O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1ccn(Cc2cccc3cccnc23)n1)Nc1ncnc2ncccc12
InChIInChI=1S/C21H16N8O/c30-21(27-20-16-7-3-10-23-19(16)24-13-25-20)26-17-8-11-29(28-17)12-15-5-1-4-14-6-2-9-22-18(14)15/h1-11,13H,12H2,(H2,23,24,25,26,27,28,30)
InChIKeyIEEPLNCIDKQDLU-UHFFFAOYSA-N
XLogP3.46
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]cyclopentanecarboxamide
CID 49011537
5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide
CID 75372840
1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
CID 71259684
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
4-nitro-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 48928565
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
1-isoquinolin-1-yl-3-pyrazin-2-ylurea;1-pyrazin-2-yl-3-quinolin-8-ylurea
CID 69094096
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 17380821
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939

Frequently Asked Questions

What is the IUPAC name of 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea (CID 146076553) is 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea is O=C(Nc1ccn(Cc2cccc3cccnc23)n1)Nc1ncnc2ncccc12.
What is the InChIKey of 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is IEEPLNCIDKQDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8O/c30-21(27-20-16-7-3-10-23-19(16)24-13-25-20)26-17-8-11-29(28-17)12-15-5-1-4-14-6-2-9-22-18(14)15/h1-11,13H,12H2,(H2,23,24,25,26,27,28,30).
What are the key properties of 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea?
1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 396.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 146076553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).