2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

C18H17N7 — CID 91758287

IUPAC2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESc1cc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)nc2cn1
InChIInChI=1S/C18H17N7/c1-2-15-13(10-21-24-15)9-12(1)17-22-16-11-20-4-3-14(16)18(23-17)25-7-5-19-6-8-25/h1-4,9-11,19H,5-8H2,(H,21,24)
InChIKeyGMLKJSOWCKBKLX-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.98
Rot. Bonds2

About 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (PubChem CID 91758287) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
PubChem CID91758287
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESc1cc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)nc2cn1
InChIInChI=1S/C18H17N7/c1-2-15-13(10-21-24-15)9-12(1)17-22-16-11-20-4-3-14(16)18(23-17)25-7-5-19-6-8-25/h1-4,9-11,19H,5-8H2,(H,21,24)
InChIKeyGMLKJSOWCKBKLX-UHFFFAOYSA-N
XLogP1.98
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (CID 91758287) is 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is c1cc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)nc2cn1.
What is the InChIKey of 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The InChIKey is GMLKJSOWCKBKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-2-15-13(10-21-24-15)9-12(1)17-22-16-11-20-4-3-14(16)18(23-17)25-7-5-19-6-8-25/h1-4,9-11,19H,5-8H2,(H,21,24).
What are the key properties of 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine has a molecular weight of 331.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 91758287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).