N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine

C19H28N8 — CID 143255282

IUPACN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccnc4c3CN(C)N4)cnc2N(C)C)CC1
InChIInChI=1S/C19H28N8/c1-24(2)18-19(27-9-5-8-25(3)10-11-27)22-16(12-21-18)14-6-7-20-17-15(14)13-26(4)23-17/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,23)
InChIKeyMFSAJHDSJWOFFO-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.52
Rot. Bonds3

About N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine

N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine (PubChem CID 143255282) has the molecular formula C19H28N8 and a molecular weight of 368.49 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine
PubChem CID143255282
Molecular FormulaC19H28N8
Molecular Weight368.49 g/mol
Exact Mass368.24
IUPAC NameN,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine
SMILESCN1CCCN(c2nc(-c3ccnc4c3CN(C)N4)cnc2N(C)C)CC1
InChIInChI=1S/C19H28N8/c1-24(2)18-19(27-9-5-8-25(3)10-11-27)22-16(12-21-18)14-6-7-20-17-15(14)13-26(4)23-17/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,23)
InChIKeyMFSAJHDSJWOFFO-UHFFFAOYSA-N
XLogP1.52
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine (CID 143255282) is N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine is CN1CCCN(c2nc(-c3ccnc4c3CN(C)N4)cnc2N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine?
The InChIKey is MFSAJHDSJWOFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8/c1-24(2)18-19(27-9-5-8-25(3)10-11-27)22-16(12-21-18)14-6-7-20-17-15(14)13-26(4)23-17/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,23).
What are the key properties of N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine?
N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine has a molecular weight of 368.49 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-5-(2-methyl-1,3-dihydropyrazolo[3,4-b]pyridin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 143255282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).