2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one

C20H17N5O3 — CID 136953380

IUPAC2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cc2ccc(Oc3nc4cnccc4c(=O)[nH]3)cc2[nH]1)N1CCCC1
InChIInChI=1S/C20H17N5O3/c26-18-14-5-6-21-11-17(14)23-20(24-18)28-13-4-3-12-9-16(22-15(12)10-13)19(27)25-7-1-2-8-25/h3-6,9-11,22H,1-2,7-8H2,(H,23,24,26)
InChIKeyQHCVJNSCDIWPTG-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.83
Rot. Bonds3

About 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136953380) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136953380
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cc2ccc(Oc3nc4cnccc4c(=O)[nH]3)cc2[nH]1)N1CCCC1
InChIInChI=1S/C20H17N5O3/c26-18-14-5-6-21-11-17(14)23-20(24-18)28-13-4-3-12-9-16(22-15(12)10-13)19(27)25-7-1-2-8-25/h3-6,9-11,22H,1-2,7-8H2,(H,23,24,26)
InChIKeyQHCVJNSCDIWPTG-UHFFFAOYSA-N
XLogP2.83
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[(2-benzoyl-1,3-dihydroisoindol-5-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953408
2-[3-fluoro-5-(morpholine-4-carbonyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002066
2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002268
2-[1-(cyclopropylmethyl)indazol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953353
2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953399
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953306
2-[4-[cyclopentyl(methyl)amino]-3-methylphenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137072362
2-[4-(4-methylanilino)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953216
2-[(1-benzyl-2-methyl-3H-indazol-5-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 167068030
(3S)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid
CID 136644282

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136953380) is 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one is O=C(c1cc2ccc(Oc3nc4cnccc4c(=O)[nH]3)cc2[nH]1)N1CCCC1.
What is the InChIKey of 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QHCVJNSCDIWPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-18-14-5-6-21-11-17(14)23-20(24-18)28-13-4-3-12-9-16(22-15(12)10-13)19(27)25-7-1-2-8-25/h3-6,9-11,22H,1-2,7-8H2,(H,23,24,26).
What are the key properties of 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 375.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136953380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).