3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane

C25H35N7O — CID 143796257

IUPAC3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane
SMILESCC.CN1CCC(N2C=C(c3cnc(N)c(-c4nc5ccccc5o4)c3)C(N(C)C)N2)CC1
InChIInChI=1S/C23H29N7O.C2H6/c1-28(2)22-18(14-30(27-22)16-8-10-29(3)11-9-16)15-12-17(21(24)25-13-15)23-26-19-6-4-5-7-20(19)31-23;1-2/h4-7,12-14,16,22,27H,8-11H2,1-3H3,(H2,24,25);1-2H3
InChIKeyLTSDRUGRBMXNBW-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.64
Rot. Bonds4

About 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane

3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane (PubChem CID 143796257) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane
PubChem CID143796257
Molecular FormulaC25H35N7O
Molecular Weight449.60 g/mol
Exact Mass449.29
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane
SMILESCC.CN1CCC(N2C=C(c3cnc(N)c(-c4nc5ccccc5o4)c3)C(N(C)C)N2)CC1
InChIInChI=1S/C23H29N7O.C2H6/c1-28(2)22-18(14-30(27-22)16-8-10-29(3)11-9-16)15-12-17(21(24)25-13-15)23-26-19-6-4-5-7-20(19)31-23;1-2/h4-7,12-14,16,22,27H,8-11H2,1-3H3,(H2,24,25);1-2H3
InChIKeyLTSDRUGRBMXNBW-UHFFFAOYSA-N
XLogP3.64
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 42599605
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-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 67388374
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-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 67388241
tert-butyl 4-[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]triazol-1-yl]piperidine-1-carboxylate
CID 67388898
[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-(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
3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine
CID 67389274
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane?
The IUPAC name of 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) is 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane is CC.CN1CCC(N2C=C(c3cnc(N)c(-c4nc5ccccc5o4)c3)C(N(C)C)N2)CC1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane?
The InChIKey is LTSDRUGRBMXNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O.C2H6/c1-28(2)22-18(14-30(27-22)16-8-10-29(3)11-9-16)15-12-17(21(24)25-13-15)23-26-19-6-4-5-7-20(19)31-23;1-2/h4-7,12-14,16,22,27H,8-11H2,1-3H3,(H2,24,25);1-2H3.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane?
3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane has a molecular weight of 449.60 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane is sourced from PubChem (CID 143796257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).