N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

C23H28N4O2 — CID 135938921

IUPACN-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@H]3CCCc4ccccc43)c(C)c12
InChIInChI=1S/C23H28N4O2/c1-14-18(23(29)25-22-21(14)15(2)26-27(22)3)11-12-20(28)24-13-17-9-6-8-16-7-4-5-10-19(16)17/h4-5,7,10,17H,6,8-9,11-13H2,1-3H3,(H,24,28)(H,25,29)/t17-/m0/s1
InChIKeyWRWIAXKQWNSMDP-KRWDZBQOSA-N
MW392.50 g/mol
LogP3.05
Rot. Bonds5

About N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 135938921) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID135938921
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@H]3CCCc4ccccc43)c(C)c12
InChIInChI=1S/C23H28N4O2/c1-14-18(23(29)25-22-21(14)15(2)26-27(22)3)11-12-20(28)24-13-17-9-6-8-16-7-4-5-10-19(16)17/h4-5,7,10,17H,6,8-9,11-13H2,1-3H3,(H,24,28)(H,25,29)/t17-/m0/s1
InChIKeyWRWIAXKQWNSMDP-KRWDZBQOSA-N
XLogP3.05
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 135938921) is N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@H]3CCCc4ccccc43)c(C)c12.
What is the InChIKey of N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is WRWIAXKQWNSMDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14-18(23(29)25-22-21(14)15(2)26-27(22)3)11-12-20(28)24-13-17-9-6-8-16-7-4-5-10-19(16)17/h4-5,7,10,17H,6,8-9,11-13H2,1-3H3,(H,24,28)(H,25,29)/t17-/m0/s1.
What are the key properties of N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 135938921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).