3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

C26H35N5O — CID 17419738

IUPAC3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C26H35N5O/c1-18(2)31-26-23(16-27-31)19(3)22(20(4)28-26)12-13-25(32)29(5)17-21-10-6-7-11-24(21)30-14-8-9-15-30/h6-7,10-11,16,18H,8-9,12-15,17H2,1-5H3
InChIKeyWIDZPJUXGMOXFE-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.82
Rot. Bonds7

About 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 17419738) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID17419738
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C26H35N5O/c1-18(2)31-26-23(16-27-31)19(3)22(20(4)28-26)12-13-25(32)29(5)17-21-10-6-7-11-24(21)30-14-8-9-15-30/h6-7,10-11,16,18H,8-9,12-15,17H2,1-5H3
InChIKeyWIDZPJUXGMOXFE-UHFFFAOYSA-N
XLogP4.82
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 17419738) is 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1.
What is the InChIKey of 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is WIDZPJUXGMOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c1-18(2)31-26-23(16-27-31)19(3)22(20(4)28-26)12-13-25(32)29(5)17-21-10-6-7-11-24(21)30-14-8-9-15-30/h6-7,10-11,16,18H,8-9,12-15,17H2,1-5H3.
What are the key properties of 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 433.60 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 17419738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).