N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C21H25N7O — CID 167629471

IUPACN-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCn1nc(OCCN2CCCCC2)c2ccc(Nc3[nH]nc4ncccc34)cc21
InChIInChI=1S/C21H25N7O/c1-27-18-14-15(23-20-17-6-5-9-22-19(17)24-25-20)7-8-16(18)21(26-27)29-13-12-28-10-3-2-4-11-28/h5-9,14H,2-4,10-13H2,1H3,(H2,22,23,24,25)
InChIKeyWVMBADATLKZUFX-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.45
Rot. Bonds6

About N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 167629471) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID167629471
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCn1nc(OCCN2CCCCC2)c2ccc(Nc3[nH]nc4ncccc34)cc21
InChIInChI=1S/C21H25N7O/c1-27-18-14-15(23-20-17-6-5-9-22-19(17)24-25-20)7-8-16(18)21(26-27)29-13-12-28-10-3-2-4-11-28/h5-9,14H,2-4,10-13H2,1H3,(H2,22,23,24,25)
InChIKeyWVMBADATLKZUFX-UHFFFAOYSA-N
XLogP3.45
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

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Related Compounds

3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190053
3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 159030930
3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
CID 158461106
N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 161453959
7-fluoro-8-(2-piperidin-1-ylethoxy)quinolin-5-amine
CID 83164985
N-(3-cyclopropyl-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191934
N-(3-tert-butyl-1-benzofuran-6-yl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 134190046
3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine
CID 61267879
1-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]pyrrolidin-2-one
CID 134192099
2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]propanamide
CID 140837893
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 167629471) is N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is Cn1nc(OCCN2CCCCC2)c2ccc(Nc3[nH]nc4ncccc34)cc21.
What is the InChIKey of N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is WVMBADATLKZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-27-18-14-15(23-20-17-6-5-9-22-19(17)24-25-20)7-8-16(18)21(26-27)29-13-12-28-10-3-2-4-11-28/h5-9,14H,2-4,10-13H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 391.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 167629471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).