N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

C24H30N4O2 — CID 23603507

IUPACN-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCC4CCCO4)c(C)nc32)cc1
InChIInChI=1S/C24H30N4O2/c1-15-7-9-19(10-8-15)28-24-23(18(4)27-28)16(2)21(17(3)26-24)11-12-22(29)25-14-20-6-5-13-30-20/h7-10,20H,5-6,11-14H2,1-4H3,(H,25,29)
InChIKeyDSCDUNMLLMPWFY-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.88
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide

N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (PubChem CID 23603507) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
PubChem CID23603507
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCC4CCCO4)c(C)nc32)cc1
InChIInChI=1S/C24H30N4O2/c1-15-7-9-19(10-8-15)28-24-23(18(4)27-28)16(2)21(17(3)26-24)11-12-22(29)25-14-20-6-5-13-30-20/h7-10,20H,5-6,11-14H2,1-4H3,(H,25,29)
InChIKeyDSCDUNMLLMPWFY-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(4-oxocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea
CID 25260758
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-methylurea
CID 25262616
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-ethylurea
CID 25262617
Ethyl 3-{3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-B]pyridin-5-YL]propanamido}-3-(4-methylphenyl)propanoate
CID 16008550
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)oxolane-2-carboxamide
CID 3990423
N-(7-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)oxolane-2-carboxamide
CID 4977668
N-(1-ethyl-6-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl)tetrahydro-2-furancarboxamide
CID 4655315
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)oxolane-2-carboxamide
CID 4921367
Ethyl 3-phenyl-2-(3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanamido)propanoate
CID 9550069
N-(2,2-dimethoxyethyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 9551318
N-[2-(3-methylphenyl)ethyl]-3-(2,4,8,10-tetramethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 16012252
N-(4-Fluorophenyl)-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 16012486

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide (CID 23603507) is N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCC4CCCO4)c(C)nc32)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
The InChIKey is DSCDUNMLLMPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-7-9-19(10-8-15)28-24-23(18(4)27-28)16(2)21(17(3)26-24)11-12-22(29)25-14-20-6-5-13-30-20/h7-10,20H,5-6,11-14H2,1-4H3,(H,25,29).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide?
N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide has a molecular weight of 406.53 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 23603507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).