2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one

C18H15N5O2 — CID 136953353

IUPAC2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3c(cnn3CC3CC3)c2)nc2cnccc12
InChIInChI=1S/C18H15N5O2/c24-17-14-5-6-19-9-15(14)21-18(22-17)25-13-3-4-16-12(7-13)8-20-23(16)10-11-1-2-11/h3-9,11H,1-2,10H2,(H,21,22,24)
InChIKeyFDUYNBKKJDQQMX-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.87
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one

2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136953353) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136953353
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3c(cnn3CC3CC3)c2)nc2cnccc12
InChIInChI=1S/C18H15N5O2/c24-17-14-5-6-19-9-15(14)21-18(22-17)25-13-3-4-16-12(7-13)8-20-23(16)10-11-1-2-11/h3-9,11H,1-2,10H2,(H,21,22,24)
InChIKeyFDUYNBKKJDQQMX-UHFFFAOYSA-N
XLogP2.87
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136953353) is 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(Oc2ccc3c(cnn3CC3CC3)c2)nc2cnccc12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FDUYNBKKJDQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-17-14-5-6-19-9-15(14)21-18(22-17)25-13-3-4-16-12(7-13)8-20-23(16)10-11-1-2-11/h3-9,11H,1-2,10H2,(H,21,22,24).
What are the key properties of 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 333.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136953353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).