N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

C23H33N7O — CID 71738885

IUPACN-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCCOc1cnc(NCc2cc3c(C)nn(C)c3nc2N(CC)CC2CCCC2)nc1
InChIInChI=1S/C23H33N7O/c1-5-30(15-17-9-7-8-10-17)21-18(11-20-16(3)28-29(4)22(20)27-21)12-24-23-25-13-19(14-26-23)31-6-2/h11,13-14,17H,5-10,12,15H2,1-4H3,(H,24,25,26)
InChIKeyKRAFLUGBLXMSOO-UHFFFAOYSA-N
MW423.57 g/mol
LogP4.09
Rot. Bonds9

About N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 71738885) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
PubChem CID71738885
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC NameN-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCCOc1cnc(NCc2cc3c(C)nn(C)c3nc2N(CC)CC2CCCC2)nc1
InChIInChI=1S/C23H33N7O/c1-5-30(15-17-9-7-8-10-17)21-18(11-20-16(3)28-29(4)22(20)27-21)12-24-23-25-13-19(14-26-23)31-6-2/h11,13-14,17H,5-10,12,15H2,1-4H3,(H,24,25,26)
InChIKeyKRAFLUGBLXMSOO-UHFFFAOYSA-N
XLogP4.09
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (CID 71738885) is N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is CCOc1cnc(NCc2cc3c(C)nn(C)c3nc2N(CC)CC2CCCC2)nc1.
What is the InChIKey of N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is KRAFLUGBLXMSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O/c1-5-30(15-17-9-7-8-10-17)21-18(11-20-16(3)28-29(4)22(20)27-21)12-24-23-25-13-19(14-26-23)31-6-2/h11,13-14,17H,5-10,12,15H2,1-4H3,(H,24,25,26).
What are the key properties of N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 423.57 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-[[(5-ethoxypyrimidin-2-yl)amino]methyl]-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 71738885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).