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

C23H26N6O2 — CID 42599605

IUPAC3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCOCc1nn(C2CCN(C)CC2)cc1-c1cnc(N)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C23H26N6O2/c1-28-9-7-16(8-10-28)29-13-18(20(27-29)14-30-2)15-11-17(22(24)25-12-15)23-26-19-5-3-4-6-21(19)31-23/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,24,25)
InChIKeyMQKNEHOSWIDNRX-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.75
Rot. Bonds5

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

3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 42599605) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID42599605
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCOCc1nn(C2CCN(C)CC2)cc1-c1cnc(N)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C23H26N6O2/c1-28-9-7-16(8-10-28)29-13-18(20(27-29)14-30-2)15-11-17(22(24)25-12-15)23-26-19-5-3-4-6-21(19)31-23/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,24,25)
InChIKeyMQKNEHOSWIDNRX-UHFFFAOYSA-N
XLogP3.75
TPSA95.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 42599839
3-(7-methoxy-1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 42600095
3-(6-fluoro-1,3-benzoxazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 67388618
3-(1,3-benzoxazol-2-yl)-5-[1-(1-methyl-1-oxidopiperidin-1-ium-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 86630146
3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane
CID 143796257
tert-butyl 4-[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]triazol-1-yl]piperidine-1-carboxylate
CID 67388898
3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 68654914
3-(1,3-benzoxazol-2-yl)-5-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]pyridin-2-amine
CID 67388137
[4-[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-5-methylpyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174629034
3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine
CID 67389274
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 67388374
3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 67388241

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (CID 42599605) is 3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-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-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is COCc1nn(C2CCN(C)CC2)cc1-c1cnc(N)c(-c2nc3ccccc3o2)c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is MQKNEHOSWIDNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28-9-7-16(8-10-28)29-13-18(20(27-29)14-30-2)15-11-17(22(24)25-12-15)23-26-19-5-3-4-6-21(19)31-23/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,24,25).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 418.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 42599605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).