N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C21H27N5O — CID 120886892

IUPACN-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)N(CCN)CCc3ccccc3)cnc21
InChIInChI=1S/C21H27N5O/c1-16(2)15-26-20-18(14-24-26)12-19(13-23-20)21(27)25(11-9-22)10-8-17-6-4-3-5-7-17/h3-7,12-14,16H,8-11,15,22H2,1-2H3
InChIKeyVRMARASPTXPOST-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.73
Rot. Bonds8

About N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 120886892) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID120886892
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)N(CCN)CCc3ccccc3)cnc21
InChIInChI=1S/C21H27N5O/c1-16(2)15-26-20-18(14-24-26)12-19(13-23-20)21(27)25(11-9-22)10-8-17-6-4-3-5-7-17/h3-7,12-14,16H,8-11,15,22H2,1-2H3
InChIKeyVRMARASPTXPOST-UHFFFAOYSA-N
XLogP2.73
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166204525
1-benzyl-N,N-dipropylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 78839414
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586586
N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120886727
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 86840006
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 95280574
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178
N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
CID 120884829
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
CID 166191038
N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 120885951

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 120886892) is N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)Cn1ncc2cc(C(=O)N(CCN)CCc3ccccc3)cnc21.
What is the InChIKey of N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is VRMARASPTXPOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16(2)15-26-20-18(14-24-26)12-19(13-23-20)21(27)25(11-9-22)10-8-17-6-4-3-5-7-17/h3-7,12-14,16H,8-11,15,22H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 120886892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).