(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone

C22H23N5O2 — CID 56882203

IUPAC(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H](O)c1ccccc1)C2
InChIInChI=1S/C22H23N5O2/c1-26(2)21-17-10-13-27(22(29)19(28)15-6-4-3-5-7-15)14-18(17)24-20(25-21)16-8-11-23-12-9-16/h3-9,11-12,19,28H,10,13-14H2,1-2H3/t19-/m1/s1
InChIKeyWGSMFHLQZBIWNT-LJQANCHMSA-N
MW389.46 g/mol
LogP2.22
Rot. Bonds4

About (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone

(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone (PubChem CID 56882203) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone
PubChem CID56882203
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone
SMILESCN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H](O)c1ccccc1)C2
InChIInChI=1S/C22H23N5O2/c1-26(2)21-17-10-13-27(22(29)19(28)15-6-4-3-5-7-15)14-18(17)24-20(25-21)16-8-11-23-12-9-16/h3-9,11-12,19,28H,10,13-14H2,1-2H3/t19-/m1/s1
InChIKeyWGSMFHLQZBIWNT-LJQANCHMSA-N
XLogP2.22
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone (CID 56882203) is (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone is CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H](O)c1ccccc1)C2.
What is the InChIKey of (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is WGSMFHLQZBIWNT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26(2)21-17-10-13-27(22(29)19(28)15-6-4-3-5-7-15)14-18(17)24-20(25-21)16-8-11-23-12-9-16/h3-9,11-12,19,28H,10,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone?
(2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 389.46 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 56882203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).