indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

C19H21N5O — CID 126887543

IUPACindolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(NC2CCN(C(=O)c3cc4ccccn4c3)CC2)ncn1
InChIInChI=1S/C19H21N5O/c1-14-10-18(21-13-20-14)22-16-5-8-23(9-6-16)19(25)15-11-17-4-2-3-7-24(17)12-15/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,20,21,22)
InChIKeyBPZDFSGKSNMRHS-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.75
Rot. Bonds3

About indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 126887543) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameindolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID126887543
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Nameindolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(NC2CCN(C(=O)c3cc4ccccn4c3)CC2)ncn1
InChIInChI=1S/C19H21N5O/c1-14-10-18(21-13-20-14)22-16-5-8-23(9-6-16)19(25)15-11-17-4-2-3-7-24(17)12-15/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,20,21,22)
InChIKeyBPZDFSGKSNMRHS-UHFFFAOYSA-N
XLogP2.75
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578
(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
6-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887868
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887533
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
(3-methoxy-1-methylpyrazol-4-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887501
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887579
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887498
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126887559
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
indolizin-2-yl-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342479

Frequently Asked Questions

What is the IUPAC name of indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 126887543) is indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is Cc1cc(NC2CCN(C(=O)c3cc4ccccn4c3)CC2)ncn1.
What is the InChIKey of indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is BPZDFSGKSNMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-10-18(21-13-20-14)22-16-5-8-23(9-6-16)19(25)15-11-17-4-2-3-7-24(17)12-15/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,20,21,22).
What are the key properties of indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126887543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).