2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one

C18H17N5O2 — CID 137231257

IUPAC2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOCCn1ncc2ccc(Cc3nc4cnccc4c(=O)[nH]3)cc21
InChIInChI=1S/C18H17N5O2/c1-25-7-6-23-16-8-12(2-3-13(16)10-20-23)9-17-21-15-11-19-5-4-14(15)18(24)22-17/h2-5,8,10-11H,6-7,9H2,1H3,(H,21,22,24)
InChIKeySORXHQSBSBXJRX-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.90
Rot. Bonds5

About 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137231257) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137231257
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOCCn1ncc2ccc(Cc3nc4cnccc4c(=O)[nH]3)cc21
InChIInChI=1S/C18H17N5O2/c1-25-7-6-23-16-8-12(2-3-13(16)10-20-23)9-17-21-15-11-19-5-4-14(15)18(24)22-17/h2-5,8,10-11H,6-7,9H2,1H3,(H,21,22,24)
InChIKeySORXHQSBSBXJRX-UHFFFAOYSA-N
XLogP1.90
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[4-(1-methoxypropan-2-yl)-N-methylanilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137072374
2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002388
2-[[4-[4-(4-aminopiperidin-1-yl)-N-methylanilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137482037
1-(3-methoxypropyl)-6-methylindazole
CID 66596206
5-ethyl-1-(2-methoxyethyl)indazole
CID 71211159
2-[4-[(3-methoxyphenyl)methyl]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 145046641
2-[[4-[methyl-(1-methylindazol-5-yl)amino]phenyl]methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953461
2-[4-[4-(2-methoxyethyl)-N-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002579
2-[[4-[N-methyl-4-(oxolan-3-yloxy)anilino]phenyl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137214950
2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953353
1-(2-methoxyethyl)-5-methylpyrazolo[4,5-b]pyridine
CID 177034392
6-iodo-1-(4-methoxybutyl)indazole
CID 104650837

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137231257) is 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one is COCCn1ncc2ccc(Cc3nc4cnccc4c(=O)[nH]3)cc21.
What is the InChIKey of 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SORXHQSBSBXJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-7-6-23-16-8-12(2-3-13(16)10-20-23)9-17-21-15-11-19-5-4-14(15)18(24)22-17/h2-5,8,10-11H,6-7,9H2,1H3,(H,21,22,24).
What are the key properties of 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 335.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)indazol-6-yl]methyl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137231257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).