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

C26H35N5O2 — CID 110263412

IUPAC1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1nc(C2CCCN(C(=O)CN3CCOCC3)C2)nc2c1CCCN2Cc1ccccc1
InChIInChI=1S/C26H35N5O2/c1-20-23-10-6-12-31(17-21-7-3-2-4-8-21)26(23)28-25(27-20)22-9-5-11-30(18-22)24(32)19-29-13-15-33-16-14-29/h2-4,7-8,22H,5-6,9-19H2,1H3
InChIKeyYUOAPBYNUKKPCL-UHFFFAOYSA-N
MW449.60 g/mol
LogP2.78
Rot. Bonds5

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

1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110263412) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID110263412
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1nc(C2CCCN(C(=O)CN3CCOCC3)C2)nc2c1CCCN2Cc1ccccc1
InChIInChI=1S/C26H35N5O2/c1-20-23-10-6-12-31(17-21-7-3-2-4-8-21)26(23)28-25(27-20)22-9-5-11-30(18-22)24(32)19-29-13-15-33-16-14-29/h2-4,7-8,22H,5-6,9-19H2,1H3
InChIKeyYUOAPBYNUKKPCL-UHFFFAOYSA-N
XLogP2.78
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

Gdc-0349
CID 59239165
2-[(1R,9S)-4-[4-(ethylcarbamoylamino)phenyl]-6-[(3S)-3-methylmorpholin-4-yl]-3,5,12-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]-N,2-dimethylpropanamide
CID 71719453
tert-butyl 2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 44814560
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 44815590
4-Amino-2-butoxy-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
CID 46240433
(2S,6R)-2,6-dimethyl-4-(4-morpholin-4-yl-7-phenylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 46882231
1-Ethyl-3-(4-(4-morpholino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl) phenyl)urea
CID 46913071
methyl 2-(4-(3-ethylureido)phenyl)-4-morpholino-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 46913265
(S)-1-ethyl-3-(4-(4-(3-methylmorpholino)-7-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl)urea
CID 59239077
(S)-1-(4-(6-acetyl-4-(3-methylmorpholino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl)-3-ethylurea
CID 59239336
Urea, N-ethyl-N'-[4-[5,6,7,8-tetrahydro-4-(4-morpholinyl)-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-
CID 59239369
6-aza-THQ
CID 59239374

Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone (CID 110263412) is 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone is Cc1nc(C2CCCN(C(=O)CN3CCOCC3)C2)nc2c1CCCN2Cc1ccccc1.
What is the InChIKey of 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is YUOAPBYNUKKPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-20-23-10-6-12-31(17-21-7-3-2-4-8-21)26(23)28-25(27-20)22-9-5-11-30(18-22)24(32)19-29-13-15-33-16-14-29/h2-4,7-8,22H,5-6,9-19H2,1H3.
What are the key properties of 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 449.60 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110263412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).