3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one

C25H33N5O2 — CID 110264625

IUPAC3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
SMILESCCCn1ncc2ccc(C3CCCN(C(=O)CCN(C)c4cccc(OC)c4)C3)nc21
InChIInChI=1S/C25H33N5O2/c1-4-13-30-25-19(17-26-30)10-11-23(27-25)20-7-6-14-29(18-20)24(31)12-15-28(2)21-8-5-9-22(16-21)32-3/h5,8-11,16-17,20H,4,6-7,12-15,18H2,1-3H3
InChIKeyVPLOEIZGVXKLLZ-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.08
Rot. Bonds8

About 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one

3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one (PubChem CID 110264625) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
PubChem CID110264625
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
SMILESCCCn1ncc2ccc(C3CCCN(C(=O)CCN(C)c4cccc(OC)c4)C3)nc21
InChIInChI=1S/C25H33N5O2/c1-4-13-30-25-19(17-26-30)10-11-23(27-25)20-7-6-14-29(18-20)24(31)12-15-28(2)21-8-5-9-22(16-21)32-3/h5,8-11,16-17,20H,4,6-7,12-15,18H2,1-3H3
InChIKeyVPLOEIZGVXKLLZ-UHFFFAOYSA-N
XLogP4.08
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one 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-(4-methoxy-N-methylanilino)-1-[(3R)-3-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95813769
1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one
CID 129460164
1-propyl-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazolo[5,4-b]pyridine
CID 110264617
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
3-(3-methoxy-N-methylanilino)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110265428
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 92616535
2-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110264604
3-chloro-1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 175658170
1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 10753027
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457
3-(diethylamino)-1-[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 45170840

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one (CID 110264625) is 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one is CCCn1ncc2ccc(C3CCCN(C(=O)CCN(C)c4cccc(OC)c4)C3)nc21.
What is the InChIKey of 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VPLOEIZGVXKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-4-13-30-25-19(17-26-30)10-11-23(27-25)20-7-6-14-29(18-20)24(31)12-15-28(2)21-8-5-9-22(16-21)32-3/h5,8-11,16-17,20H,4,6-7,12-15,18H2,1-3H3.
What are the key properties of 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one?
3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one has a molecular weight of 435.57 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110264625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).