4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

C22H28N6O — CID 129336500

IUPAC4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
SMILESCc1cccc2c(N3CCC[C@@H](c4[nH]ncc4CN4CCOCC4)C3)ncnc12
InChIInChI=1S/C22H28N6O/c1-16-4-2-6-19-20(16)23-15-24-22(19)28-7-3-5-17(14-28)21-18(12-25-26-21)13-27-8-10-29-11-9-27/h2,4,6,12,15,17H,3,5,7-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyQTDDXCYLMCHEEU-QGZVFWFLSA-N
MW392.51 g/mol
LogP2.88
Rot. Bonds4

About 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (PubChem CID 129336500) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
PubChem CID129336500
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
SMILESCc1cccc2c(N3CCC[C@@H](c4[nH]ncc4CN4CCOCC4)C3)ncnc12
InChIInChI=1S/C22H28N6O/c1-16-4-2-6-19-20(16)23-15-24-22(19)28-7-3-5-17(14-28)21-18(12-25-26-21)13-27-8-10-29-11-9-27/h2,4,6,12,15,17H,3,5,7-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyQTDDXCYLMCHEEU-QGZVFWFLSA-N
XLogP2.88
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile
CID 154736088
4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 128974960
5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
CID 129476423
4-[[5-[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 154740983
4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129474874
2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477557
(3-ethoxy-2-pyridinyl)-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 126817567
4-[[5-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 167884798
2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 126804542
4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129477125
3-[(3R)-1-(8-fluoroquinazolin-4-yl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136691027
2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110254279

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (CID 129336500) is 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is Cc1cccc2c(N3CCC[C@@H](c4[nH]ncc4CN4CCOCC4)C3)ncnc12.
What is the InChIKey of 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The InChIKey is QTDDXCYLMCHEEU-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N6O/c1-16-4-2-6-19-20(16)23-15-24-22(19)28-7-3-5-17(14-28)21-18(12-25-26-21)13-27-8-10-29-11-9-27/h2,4,6,12,15,17H,3,5,7-11,13-14H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine has a molecular weight of 392.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 129336500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).