4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine

C11H11N5 — CID 126663697

IUPAC4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine
SMILESCn1cc(-c2ncnc3c2C=CCN3)cn1
InChIInChI=1S/C11H11N5/c1-16-6-8(5-15-16)10-9-3-2-4-12-11(9)14-7-13-10/h2-3,5-7H,4H2,1H3,(H,12,13,14)
InChIKeyHZZBFPOKVRNDSQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.32
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine

4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine (PubChem CID 126663697) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine
PubChem CID126663697
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine
SMILESCn1cc(-c2ncnc3c2C=CCN3)cn1
InChIInChI=1S/C11H11N5/c1-16-6-8(5-15-16)10-9-3-2-4-12-11(9)14-7-13-10/h2-3,5-7H,4H2,1H3,(H,12,13,14)
InChIKeyHZZBFPOKVRNDSQ-UHFFFAOYSA-N
XLogP1.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine (CID 126663697) is 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine is Cn1cc(-c2ncnc3c2C=CCN3)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is HZZBFPOKVRNDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16-6-8(5-15-16)10-9-3-2-4-12-11(9)14-7-13-10/h2-3,5-7H,4H2,1H3,(H,12,13,14).
What are the key properties of 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine?
4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 213.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-7,8-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 126663697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).