(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone

C18H17N5O — CID 163216146

IUPAC(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1c2cnc(-c3ccccn3)nc2CCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C18H17N5O/c1-12-13-11-21-17(15-5-2-3-8-19-15)22-14(13)7-10-23(12)18(24)16-6-4-9-20-16/h2-6,8-9,11-12,20H,7,10H2,1H3
InChIKeyAMDZTXBFBNBPDB-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.63
Rot. Bonds2

About (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone

(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 163216146) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID163216146
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1c2cnc(-c3ccccn3)nc2CCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C18H17N5O/c1-12-13-11-21-17(15-5-2-3-8-19-15)22-14(13)7-10-23(12)18(24)16-6-4-9-20-16/h2-6,8-9,11-12,20H,7,10H2,1H3
InChIKeyAMDZTXBFBNBPDB-UHFFFAOYSA-N
XLogP2.63
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone (CID 163216146) is (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone is CC1c2cnc(-c3ccccn3)nc2CCN1C(=O)c1ccc[nH]1.
What is the InChIKey of (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is AMDZTXBFBNBPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-13-11-21-17(15-5-2-3-8-19-15)22-14(13)7-10-23(12)18(24)16-6-4-9-20-16/h2-6,8-9,11-12,20H,7,10H2,1H3.
What are the key properties of (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone?
(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 319.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 163216146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).