1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

C22H34N6O3 — CID 95832445

IUPAC1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CN3CCOCC3)nc(N(C)C)c2C1
InChIInChI=1S/C22H34N6O3/c1-16(29)27-9-7-18-17(14-27)22(25(2)3)24-21(23-18)19-6-4-5-8-28(19)20(30)15-26-10-12-31-13-11-26/h19H,4-15H2,1-3H3/t19-/m1/s1
InChIKeyRXBSRTDZDKGHEI-LJQANCHMSA-N
MW430.55 g/mol
LogP0.83
Rot. Bonds4

About 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 95832445) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID95832445
Molecular FormulaC22H34N6O3
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC Name1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CN3CCOCC3)nc(N(C)C)c2C1
InChIInChI=1S/C22H34N6O3/c1-16(29)27-9-7-18-17(14-27)22(25(2)3)24-21(23-18)19-6-4-5-8-28(19)20(30)15-26-10-12-31-13-11-26/h19H,4-15H2,1-3H3/t19-/m1/s1
InChIKeyRXBSRTDZDKGHEI-LJQANCHMSA-N
XLogP0.83
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 95832445) is 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CN3CCOCC3)nc(N(C)C)c2C1.
What is the InChIKey of 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is RXBSRTDZDKGHEI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-16(29)27-9-7-18-17(14-27)22(25(2)3)24-21(23-18)19-6-4-5-8-28(19)20(30)15-26-10-12-31-13-11-26/h19H,4-15H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 430.55 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-acetyl-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 95832445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).