2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

C21H24N8O2 — CID 171784418

IUPAC2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCNC1(COc2nc3c(cc2C)c(C(N)=O)c(N)n3-c2c(C)cnc3[nH]ncc23)CC1
InChIInChI=1S/C21H24N8O2/c1-10-6-12-14(17(23)30)16(22)29(15-11(2)7-25-18-13(15)8-26-28-18)19(12)27-20(10)31-9-21(24-3)4-5-21/h6-8,24H,4-5,9,22H2,1-3H3,(H2,23,30)(H,25,26,28)
InChIKeyJCMBVMKDXHDVKM-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.73
Rot. Bonds6

About 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171784418) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171784418
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCNC1(COc2nc3c(cc2C)c(C(N)=O)c(N)n3-c2c(C)cnc3[nH]ncc23)CC1
InChIInChI=1S/C21H24N8O2/c1-10-6-12-14(17(23)30)16(22)29(15-11(2)7-25-18-13(15)8-26-28-18)19(12)27-20(10)31-9-21(24-3)4-5-21/h6-8,24H,4-5,9,22H2,1-3H3,(H2,23,30)(H,25,26,28)
InChIKeyJCMBVMKDXHDVKM-UHFFFAOYSA-N
XLogP1.73
TPSA149.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 171784418) is 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is CNC1(COc2nc3c(cc2C)c(C(N)=O)c(N)n3-c2c(C)cnc3[nH]ncc23)CC1.
What is the InChIKey of 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is JCMBVMKDXHDVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-10-6-12-14(17(23)30)16(22)29(15-11(2)7-25-18-13(15)8-26-28-18)19(12)27-20(10)31-9-21(24-3)4-5-21/h6-8,24H,4-5,9,22H2,1-3H3,(H2,23,30)(H,25,26,28).
What are the key properties of 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171784418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).