5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol

C16H12N4O — CID 57063487

IUPAC5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol
SMILESOc1cc2cc(Cc3ncnc4ncccc34)ccc2[nH]1
InChIInChI=1S/C16H12N4O/c21-15-8-11-6-10(3-4-13(11)20-15)7-14-12-2-1-5-17-16(12)19-9-18-14/h1-6,8-9,20-21H,7H2
InChIKeyFUGGPPZEOGGFTC-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.80
Rot. Bonds2

About 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol

5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol (PubChem CID 57063487) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol
PubChem CID57063487
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol
SMILESOc1cc2cc(Cc3ncnc4ncccc34)ccc2[nH]1
InChIInChI=1S/C16H12N4O/c21-15-8-11-6-10(3-4-13(11)20-15)7-14-12-2-1-5-17-16(12)19-9-18-14/h1-6,8-9,20-21H,7H2
InChIKeyFUGGPPZEOGGFTC-UHFFFAOYSA-N
XLogP2.80
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyrido[2,3-d]pyrimidin-4-yloxy-1H-indol-2-ol
CID 57297498
5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 70201037
5-(7H-purin-6-ylsulfanylmethyl)-1H-indol-2-ol
CID 57202721
1H-indole-2,5-diol
CID 45082883
CID 59368109
CID 59368109
2-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 69258073
5H-pyrido[3,2-b]indol-8-ol
CID 10511693
3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenol
CID 135388755
4-pyrazol-1-ylpyrido[2,3-d]pyrimidine
CID 110435911
carbamic acid;1H-indol-2-ol
CID 175329326
5-bromo-6-(quinolin-6-ylmethyl)pyrazine-2,3-diamine
CID 142789806
6-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 35209438

Frequently Asked Questions

What is the IUPAC name of 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol?
The IUPAC name of 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol (CID 57063487) is 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol.
What is the SMILES notation for 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol?
The canonical SMILES for 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol is Oc1cc2cc(Cc3ncnc4ncccc34)ccc2[nH]1.
What is the InChIKey of 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol?
The InChIKey is FUGGPPZEOGGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-15-8-11-6-10(3-4-13(11)20-15)7-14-12-2-1-5-17-16(12)19-9-18-14/h1-6,8-9,20-21H,7H2.
What are the key properties of 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol?
5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol has a molecular weight of 276.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrido[2,3-d]pyrimidin-4-ylmethyl)-1H-indol-2-ol is sourced from PubChem (CID 57063487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).