N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C27H37N5O — CID 20863654

IUPACN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCC1CCN(CC(C)C)C1
InChIInChI=1S/C27H37N5O/c1-18(2)16-31-14-13-22(17-31)15-28-25(33)12-11-24-19(3)26-21(5)30-32(27(26)29-20(24)4)23-9-7-6-8-10-23/h6-10,18,22H,11-17H2,1-5H3,(H,28,33)
InChIKeyBVGQAAWDAMJAAD-UHFFFAOYSA-N
MW447.63 g/mol
LogP4.37
Rot. Bonds8

About N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 20863654) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID20863654
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC NameN-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCC1CCN(CC(C)C)C1
InChIInChI=1S/C27H37N5O/c1-18(2)16-31-14-13-22(17-31)15-28-25(33)12-11-24-19(3)26-21(5)30-32(27(26)29-20(24)4)23-9-7-6-8-10-23/h6-10,18,22H,11-17H2,1-5H3,(H,28,33)
InChIKeyBVGQAAWDAMJAAD-UHFFFAOYSA-N
XLogP4.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethoxyethyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 46261829
N-(3-methylbutyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603505
1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 23602926
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94079742
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 50796369
N-cyclohexyl-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796215
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 23603953
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 50796311
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 20863650
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796295
N-(1-benzylpyrrolidin-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 42939395

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 20863654) is N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCC1CCN(CC(C)C)C1.
What is the InChIKey of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is BVGQAAWDAMJAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O/c1-18(2)16-31-14-13-22(17-31)15-28-25(33)12-11-24-19(3)26-21(5)30-32(27(26)29-20(24)4)23-9-7-6-8-10-23/h6-10,18,22H,11-17H2,1-5H3,(H,28,33).
What are the key properties of N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 447.63 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 20863654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).