3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

C22H24N6O — CID 42599603

IUPAC3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCc1nn(C2CCN(C)CC2)cc1-c1cnc(N)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H24N6O/c1-14-18(13-28(26-14)16-7-9-27(2)10-8-16)15-11-17(21(23)24-12-15)22-25-19-5-3-4-6-20(19)29-22/h3-6,11-13,16H,7-10H2,1-2H3,(H2,23,24)
InChIKeyVDLPZFPQISBPJF-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.91
Rot. Bonds3

About 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 42599603) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID42599603
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCc1nn(C2CCN(C)CC2)cc1-c1cnc(N)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H24N6O/c1-14-18(13-28(26-14)16-7-9-27(2)10-8-16)15-11-17(21(23)24-12-15)22-25-19-5-3-4-6-20(19)29-22/h3-6,11-13,16H,7-10H2,1-2H3,(H2,23,24)
InChIKeyVDLPZFPQISBPJF-UHFFFAOYSA-N
XLogP3.91
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine with MolForge

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Related Compounds

5-(1-Piperidin-4-ylpyrazol-4-yl)-3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 44256277
1-(4-{4-[7-Amino-2-(1,2,3-Benzothiadiazol-7-Yl)furo[2,3-C]pyridin-4-Yl]-1h-Pyrazol-1-Yl}piperidin-1-Yl)ethanone
CID 53379038
3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681904
5-(1-Propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 127046077
5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
5-[5-Benzyl-4-(2-Oxo-2-Pyrrolidin-1-Ylethyl)-1,3-Oxazol-2-Yl]-1-Ethyl-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-B]pyridin-4-Amine
CID 46945866
2-[2-Amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-7-methyl-1,3-benzoxazol-6-ol;2,2,2-trifluoroacetic acid
CID 70685932
5-(1-Piperidin-4-ylpyrazol-4-yl)-3-(7-pyridin-2-yl-1,3-benzoxazol-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 70688050
2-[2-Amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,3-benzoxazol-6-ol;2,2,2-trifluoroacetic acid
CID 70690083
mTOR/HDAC-IN-1
CID 163321997
3-(1,3-Benzoxazol-2-yl)-5-[1-(4-piperidyl)pyrazol-4-yl]pyridin-2-amine
CID 44160137
3-(5-Chloro-1,3-benzoxazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 44256053

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (CID 42599603) is 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is Cc1nn(C2CCN(C)CC2)cc1-c1cnc(N)c(-c2nc3ccccc3o2)c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is VDLPZFPQISBPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-18(13-28(26-14)16-7-9-27(2)10-8-16)15-11-17(21(23)24-12-15)22-25-19-5-3-4-6-20(19)29-22/h3-6,11-13,16H,7-10H2,1-2H3,(H2,23,24).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 388.48 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-[3-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 42599603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).